SLCO4C1 Transporter Eliminates Uremic Toxins and Attenuates Hypertension and Renal Inflammation

Home , Canavanine, Leupeptin, Phosphoramidon, Phosphorylcholine

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Takafumi Toyohara,* Takehiro Suzuki,* Ryo Morimoto,* Yasutoshi Akiyama,* Tomokazu Souma,* Hiromi O. Shiwaku,* Yoichi Takeuchi,* Eikan Mishima,* Michiaki Abe,* Masayuki Tanemoto,* Satohiro Masuda,† Hiroaki Kawano,‡ Koji Maemura,‡ ʈ ʈ Masaaki Nakayama,§ Hiroshi Sato,* Tsuyoshi Mikkaichi, Hiroaki Yamaguchi, Shigefumi Fukui,¶ Yoshihiro Fukumoto,¶ Hiroaki Shimokawa,¶ Ken-ichi Inui,† ʈ Tetsuya Terasaki,** Junichi Goto, Sadayoshi Ito,* Takanori Hishinuma,†† Isabelle Rubera,‡‡ ʈʈ Michel Tauc,‡‡ Yoshiaki Fujii-Kuriyama,§§ Hikaru Yabuuchi, Yoshinori Moriyama,¶¶ Tomoyoshi Soga,*** and Takaaki Abe*†††‡‡‡

*Division of Nephrology, Endocrinology, and Vascular Medicine, §Research Division of Dialysis and Chronic Kidney Disease, ¶Department of Cardiovascular Medicine, and ‡‡‡Department of Clinical Biology and Hormonal Regulation, Tohoku University Graduate School of Medicine, Sendai, Japan; †Department of Pharmacy, Kyoto University Hospital, Faculty of Medicine, Kyoto University, Kyoto, Japan; ‡Department of Cardiovascular ʈ Medicine, Nagasaki University School of Medicine, Nagasaki, Japan; Department of Pharmaceutical Sciences, Tohoku University Hospital, Sendai, Japan; **Division of Membrane Transport and Drug Targeting and ††Division of Pharmacotherapy, Graduate School of Pharmaceutical Sciences, Tohoku University, Sendai, Japan; ‡‡CNRS-FRE3093, University of Nice-Sophia Antipolis, Parc Valrose, Nice Cedex 2, France; §§Center for Tsukuba Advanced Research Alliance and Institute of Basic Medical Sciences, University of Tsukuba, Tsukuba, ʈʈ Japan; GenoMembrane Inc., Yokohama, Japan; ¶¶Department of Membrane Biochemistry, Okayama University Graduate School of Medicine, Dentistry, and Pharmaceutical Sciences, Okayama, Japan; ***Institute for Advanced Biosciences, Keio University, Tsuruoka, Japan; and †††Division of Medical Science, Tohoku University Graduate School of Biomedical Engineering, Sendai, Japan

ABSTRACT Hypertension in patients with chronic kidney disease (CKD) strongly associates with cardiovascular events. Among patients with CKD, reducing the accumulation of uremic toxins may protect against the development of hypertension and progression of renal damage, but there are no established therapies to accomplish this. Here, overexpression of human kidney-specific organic anion transporter SLCO4C1 in rat kidney reduced hypertension, cardiomegaly, and inflammation in the setting of renal failure. In addition, SLCO4C1 overexpression decreased plasma levels of the uremic toxins guanidino succinate, asymmetric dimethylarginine, and the newly identified trans-aconitate. We found that xenobiotic responsive element core motifs regulate SLCO4C1 transcription, and various statins, which act as inducers of nuclear aryl hydrocarbon receptors, upregulate SLCO4C1 transcription. Pravastatin, which is cardioprotective, increased the clearance of asymmetric dimethylarginine and trans-aconitate in renal failure. These data suggest that drugs that upregulate SLCO4C1 may have therapeutic potential for patients with CKD.

J Am Soc Nephrol 20: 2546–2555, 2009. doi: 10.1681/ASN.2009070696

Received July 3, 2009. Accepted September 9, 2009. Sendai 980-8574 Japan. Phone: ϩ81-22-717-7163; Fax: ϩ81- 22-717-7168; E-mail: [email protected]; or Dr. Published online ahead of print. Publication date available at Takehiro Suzuki, Division of Nephrology, Endocrinology, and www.jasn.org. Vascular Medicine, Tohoku University Graduate School of T.To., T.Su., and R.M. contributed equally to this work. Medicine, 1-1 Seriyo-cho, Aoba-ku, Sendai 980-8574, Japan. Phone: ϩ81-22-717-7163; Fax: ϩ81-22-717-7168; E-mail: suzuki2i@ T.H. is deceased. mail.tains.tohoku.ac.jp Correspondence: Dr. Takaaki Abe, Division of Medical Science, Tohoku University Graduate School of Biomedical Engineering, Copyright ᮊ 2009 by the American Society of Nephrology

2546 ISSN : 1046-6673/2012-2546 J Am Soc Nephrol 20: 2546–2555, 2009 www.jasn.org BASIC RESEARCH

All individuals with an estimated GFR (eGFR) Ͻ60 ml/min per cretion of digoxin and drugs in renal failure.10 In humans, 1.73 m2 are defined as having chronic kidney disease (CKD).1 The SLCO4C1 is the only organic anion transporter in the kidney, prevalence of CKD is now estimated at approximately 10% of the whereas, in rodent kidney, several oatps exist at the basolateral population and will progress to ESRD. In patients with CKD, the and apical membrane of the proximal.10 This species diversity accumulation of uremic toxins causes difficulty in controlling BP, of the OATP family subtypes and the multiple locations in impairs renal function, and worsens prognosis.2,3 So far, more proximal tubules make it difficult to extrapolate from experi- than 110 organic compounds have been identified as uremic tox- mental studies of rodents to humans. To overcome this issues, ins.4 Among these, guanidino compounds, including guanidino here, we generated a transgenic (TG) rat harboring human succinate (GSA) and asymmetric dimethylarginine (ADMA), are SLCO4C1 in rat kidney and clarified physiologic and patho- increased in patients with CKD and correlate with prognosis.3,5 In physiologic roles of human SLCO4C1. particular, ADMA, an inhibitor of nitric oxide synthase, is implicated in hypertension, renal damage, cardiac hypertrophy, and cardiovascular events.6,7 Currently, administration of the oral ad- RESULTS sorbent AST-120 is the only therapy to remove uremic toxins in patients with CKD and diabetic nephropathy.8 Although AST- Generation of TG Rat Harboring Human SLCO4C1 in 120 removes indoxyl sulfate, other compounds are not eliminat- the Kidney ed.9 Thus, a new approach that addresses this problem is urgently TG rat harboring human SLCO4C1 in the kidney was gener- needed. ated using the proximal tubule–specific promoter11 (Figure 1, Recently, we isolated a human kidney-specific organic an- A and B). In addition, to avoid unusual mRNA splicing during ion transporting polypeptide (OATP), termed SLCO4C1, and overexpression, we mutated three atypical splicing donor- functionally characterized it as a digoxin transporter.10 The adaptor sites in the coding region of SLCO4C1 without chang- OATP family is involved in the membrane transport of bile ing the amino acids (Figure 1A). As a result, the human acids, conjugated steroids, thyroid hormone, eicosanoids, pep- SLCO4C1 mRNA was exclusively expressed in the kidney, es- tides, cardiac glycosides (digoxin, digitoxin, and ouabain), and pecially in the proximal tubules of TG rats (Figure 1C). Immu- numerous drugs.10 Among these, in the kidney, SLCO4C1 nohistochemical analysis also revealed that human SLCO4C1 might be a first step of transport pathway of digoxin and vari- protein was strongly detected at the basolateral side of the ous compounds into urine.10 In renal failure, basolateral proximal tubules (Figure 1D). SLCO4C1 expression was decreased; however, the expression When renal mass was reduced by five-sixths nephrectomy level of MDR1, a member of the ATP-binding cassette trans- (Nx), BP was significantly decreased in TG(ϩ)Nx rats com- porter family that mediates the tubular secretion of digoxin at pared with non-TG littermate [TG(Ϫ)Nx] rats (Figure 2A). the apical membrane of the proximal tubule cell, was not This BP reduction was seen in two independently generated changed.10 This reduction of SLCO4C1 in the proximal tu- lines. In TG(ϩ)Nx rats, cardiac hypertrophy was also signifi- bules may be one of the mechanisms of impaired urinary ex- cantly reduced (Figure 2B).

Figure 1. Characterization of human SLCO4C1 TG rats is shown. (A) Three different smaller sizes of mRNA by alternative splicing were found and mutated to avoid unusual splicing (AGGT to AGGG). (B) The mutated human SLCO4C1 cDNA was inserted into a plasmid under the proximal tubule–specific promoter. (C) Expression of human SLCO4C1 in rat organs and microdissected renal tubules examined by reverse transcriptase– PCR. Gl, glomerulus; S1, proximal tubule S1 segment; S2, proximal tubule S2 segment; S3, proximal tubule S3 segment; mTAL, medullary thick ascending limb; cTAL, cortical thick ascending limb; CCD, cortical collecting duct; IMCD, inner medulla collecting duct. (D) Immunohistochemical analysis. The human SLCO4C1 immunostains were abolished by peptide absorption. Bars ϭ 100 ␮m.

J Am Soc Nephrol 20: 2546–2555, 2009 SLCO4C1 Ameliorates Hypertension 2547 BASIC RESEARCH www.jasn.org

TG(-) TG(+) ***** ** ***** ** 450 220 220 ** * * 400 180 180 350 t rate (/min) n BP (mmHg) r 140 140 300 Mea Hea Systolic BP (mmHg) 100 100 250 Figure 2. Phenotype of human 0102030 0102030 0102030SLCO4C1 TG rats. (A) BP and heart Time(d) Time(d) Time(d) rate of TG(Ϫ)Nx and TG(ϩ)Nx rats. *P Ͻ 0.05 versus TG(Ϫ)Nx rats (n ϭ 4 to 6 per group). (B) Thickness of the interventricular septum (IVSTd) and left ventricular posterior wall at TG(-) TG(-) end-diastole (LVPWTd) were mea- TG(+) TG(+) sured by echocardiogram before # Ͻ 2.5 * 2.5 250 * and 3 wk after five-sixths Nx. *P

) #

TG(-) Ͻ ϭ 2 0.05; P 0.01 (n 4to9per 2.0 200 2.0 group). (C) CD68 staining in the rat 1.5 1.5 150 kidney before and 3 wk after five- ϩ 1.0 1.0 100 * sixths Nx. CD68 cell number

IVSTd (mm) counts were performed before and 0.5 0.5 50 LVPWTd (mm) 3 wk after five-sixths Nx. *P Ͻ 0.05 TG(+) 0.0 0.0 0 versus TG(Ϫ) rats (n ϭ 6to9per 0W 3W Cell count (/0.6mm 0W 3W 0W 3W group). Bars ϭ 100 ␮m.

The survival rate of TG(ϩ)Nx rats was slightly increased To exclude the possibility of the compensative or nonspe- from that of TG(Ϫ)Nx rats, but the results did not reach sta- cific effects by overexpression of SLCO4C1 in the kidney, we tistical significance (Supplemental Figure 1C). In patients with performed microarray analysis. As a result, there was NS dif- CKD, renal inflammation is also a risk factor of renal damage ference in the expression levels of other rat transporters and morbidity and mortality.12 Immunohistochemically, (slco4c1, oatp1, oatp3, oatp5, abcb11, mrp2, mdr1, and mlc1). mononuclear cell infiltration stained with the macrophage The serum ADMA level is controlled by two pathways: (1) marker CD68 was strongly detected in TG(Ϫ)Nx rat kidneys Enzymatic degradation by dimethylarginine dimethylamin- (Figure 2C). Conversely, TG(ϩ)Nx kidneys demonstrated less ohydrolase (DDAH) and (2) urinary excretion.14 In TG(ϩ)Nx infiltration of macrophage (Figure 2C). These data indicate rats, the DDAH1 mRNA level was not different between that expression of human SLCO4C1 in rat kidneys ameliorated TG(ϩ)Nx and TG(Ϫ)Nx rats, and the DDAH2 mRNA level in not only hypertension but also inflammation in renal failure. TG(ϩ)Nx rats was decreased compared with TG(Ϫ)Nx rats (Figure 3F), suggesting that the decrease of ADMA in Elimination of Uremic Toxins in TG(؉) Rats TG(ϩ)Nx rats was not dependent on facilitating enzymatic To understand the mechanism by which SLCO4C1 exerted anti- degradation. In addition, neither the plasma level of citrulline hypertensive and anti-inflammation effects, we performed com- (Figure 3G), produced from ADMA by DDAHs, nor the prehensive quantitative metabolome analysis.13 Blood and urine mRNA level of protein arginine N-methyltransferase that gen- specimens were measured by capillary electrophoresis mass spec- erates ADMA from arginine was different between TG(Ϫ)Nx trometry (CE-MS) and HPLC, and 188 anions and 298 cations and TG(ϩ)Nx rats. Because GSA excretion had not completely were identified (Supplemental Tables 1 through 4). Among these, correlated with creatinine clearance,15 these data further sug- we focused on 21 compounds for which concentration was signif- gest that the overexpression of SLCO4C1 at the proximal tu- icantly changed after Nx (Supplemental Figure 2). As a result, the bule facilitates guanidino compound excretion in renal failure. plasma levels of creatinine and indoxyl sulfate were increased 3 wk Trans-aconitate is a competitive inhibitor of aconitase.16 after Nx as previously reported,4 but the concentrations of these Aconitase is a key enzyme in catalyzing citrate to isocitrate via compounds were not different between TG(ϩ)Nx and TG(Ϫ)Nx cis-aconitate in the TCA cycle, and the accumulation of trans- rats 3 wk after Nx (Figure 3, A and B). Conversely, although the aconitate inhibits TCA cycle and respiration in tissues.16 The plasma concentration of ADMA, GSA, and trans-aconitate were retention compounds that are biologically/biochemically ac- significantly increased 3 wk after Nx, the increments were signif- tive and responsive for the uremic syndrome are called uremic icantly decreased in TG(ϩ)Nx rats compared with TG(Ϫ)Nx rats toxins.4 It is widely known that he accumulation of guanidino (Figure 3, C through E). These data suggest the facilitation of the compounds (including ADMA and GSA) and several uremic excretion of uremic toxins in TG(ϩ) rats. toxins generate oxidative stress, and it causes further renal

2548 Journal of the American Society of Nephrology J Am Soc Nephrol 20: 2546–2555, 2009 www.jasn.org BASIC RESEARCH

TG(-) TG(-) TG(-) is increased in accordance with ABC TG(+) TG(+) TG(+) * CKD progression, we performed 160 120 1.0 CE-MS analysis of 41 patients M) M) µ

µ with CKD at various stage. The 120 0.8 M) plasma level of trans-aconitate 80 µ 0.6 80 was significantly correlated with

l sulfate ( 0.4 40 the increase of plasma creati-

40 ADMA ( Creatinine ( 0.2 nine, and that inversely corre-

Indoxy lated with the eGFR similar to 0 0 0.0 0w 3w 0w 3w 0w 3w ADMA and GSA (Figure 4). Be- cause the plasma level of trans- aconitate in patients without TG(-) TG(-) TG(-) D E F CKD is low, these data suggest TG(+) * TG(+) TG(+) that trans-aconitate can be a new 2.0 6 * 2.0 uremic toxin, and a newly iden- M) * µ tified biomarker for predicting 1.5 ratio 1.5 the onset of renal damage and,

4 h M) 1.0 1.0 thus, the elimination of trans-ac-

Gapd onitate plays a beneficial role in

2 / -aconitate ( -aconitate

GSA ( µ 0.5 0.5 CKD.

0.0 0 Ddah Trans 0.0 0w 3w 0w 3w Ddah1 Ddah2 Functional Analysis of SLCO4C1 Promoter and Its G control H I Modulation by Statins trans-aconitate TG(-) We assumed that enhancement of TG(+) IP 1.5 SLCO4C1 in the kidney may facil- 400 ********************* * 140 itate the excretion of uremic tox- 1.2 130 ins and thereby ameliorate the M) 300 µ 120 0.9 symptoms of CKD. In this 200 110 scenario, drugs that upregulate

Unit/sec 0.6 100 100 control SLCO4C1 in the kidney may facil- 90 trans 0.3 Citrulline ( -aconitate itate excretion of uremic toxins

0 Systolic BP (mmHg) 80 0 and reduce renal inflammation, Trans- 0w 3w 0100200 Control decelerating progression of renal Time (min) aconitate damage and entry of hemodialysis. Figure 3. Metabolome analysis and characterization of uremic toxins are shown. (A through E To address this, we isolated the pro- and G) The plasma concentration of creatinine (A), indoxyl sulfate (B), ADMA (C), GSA (D), moter region of human SLCO4C1. trans-aconitate (E), and citrulline (G) before and 3 wk after five-sixths Nx (n ϭ 4 to 5 per group). Human SLCO4C1 promoter region (F) The mRNA expression level of DDAH1 and DDAH2 in the kidney 3 wk after five-sixths Nx (n ϭ has a predominant transcription ϭ 5 per group). (H) BP after intraperitoneal injection of trans-aconitate (400 mg/kg; n 5 per start site located 164 bp upstream Ͻ group). (I) Trans-aconitate–induced superoxide production in HK-2 cells. *P 0.05. of the ATG codon (Figure 5A). Potential cis-acting motifs for damage in patients with CKD17; however, the existence in GATA-1, hepatocyte nuclear factor (HNF)-3␣, CCAAT/en- mammals, biologic effects, and the precise role of trans-aconi- hancer-binding protein (C/EBP)␣, C/EBP␤, cAMP response tate in renal failure have not been clarified. When trans-aconi- element-binding protein (CREB), and peroxisome prolifera- tate was administered to rats intraperitoneally, the BP of in- tor–activated receptor ␣ were found. We also identified tan- jected rats was immediately elevated compared with controls dem xenobiotic-responsive element (XRE) motifs containing (Figure 3H). This increase of BP was cancelled when trans- the substitution-intolerant core sequence 5Ј-CACGC-3Ј at po- aconitate was injected into TG(ϩ) rats compared with TG(Ϫ) sition Ϫ126 (GGCACGCCCACGCCG). That sequence is gen- rats, further suggesting the excretion through SLCO4C1 (Sup- erally recognized by AhR and AhR nuclear translocator hetero- plemental Figure 1D). In addition, trans-aconitate signifi- dimer,18 although the flanking sequences are not typical cantly induced superoxide production in human kidney prox- compared with cyp1a1 XRE motifs19,20 (Supplemental Figure imal tubule cells (Figure 3I). 3D). AhR binds “classical” ligands such as the environmental To confirm further that not only ADMA and GSA but pollutants halogenated aromatic hydrocarbons (e.g., dioxin, also trans-aconitate exists in humans and the concentration benzo[a]pyrene, 3-methylcholanthrene [3-MC]).21

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Human SLCO4C1 promoter activity was increased 1.49-fold (Ϫ2064) and 1.68-fold (Ϫ129) by 3-MC compared with controls (Figure 5B). The Ϫ129 construct exhibited the highest activity, and this segment contained XRE core motifs. Be- cause AhR can also bind to a structurally divergent range of chemicals,21 we next screened various compounds. The hepatic hydroxymethyl glutaryl–CoA reductase inhibitor (statin) fluvastatin (2.3-fold at 10 ␮M) and pravastatin (1.3-fold at 30 ␮M) and atypical AhR ligand flutamide (1.4-fold at 10 ␮M) upregulated the SLCO4C1 promoter activity (Figure 5C). Because of the comparable magnitude to 3-MC and its clinical availability, we further focused on statins. Deletion experiments Figure 4. Relation between uremic toxins and eGFR as well as plasma creatinine in 41 patients showed that all constructs ex- with CKD is shown. (A through C) Correlations between eGFR and the plasma ADMA (A), GSA (B), and trans-aconitate (C) in patients with CKD. (D through F) Concentrations between plasma erted potent promoter activa- creatinine (Cr) and plasma ADMA (D), GSA (E), and trans-aconitate (F). tion, but removal of the XRE core segment or mutation in the We next examined the effects of pravastatin in vivo.We XRE core motifs abolished the response to fluvastatin (Fig- and other groups reported that pravastatin reduced BP.23,24 ure 5D). Because there are various clinical reports on reno- In addition, pravastatin has been reported to modulate protective effects of statins,22 we further examined various DDAH activity and modulate ADMA concentration.25 To statins on human SLCO4C1 transcription. Simvastatin, lo- avoid the effect on BP and to eliminate other pleiotropic vastatin, cerivastatin, itavastatin, mevastatin, atorvastatin, effects of pravastatin, we administered low-dosage prava- rosuvastatin, and pitavastatin upregulated SLCO4C1 tran- statin to Nx Wistar rats and examined renal tubular func- scription (Figure 5F). tion. After administration of pravastatin, BP was not Next, we determined the ligand-dependent recruitment changed but the mRNA level of rat slco4c1 was significantly of the AhR-XRE system by chromatin immunoprecipitation increased in the kidney (Figure 7, A and B). Under this (ChIP) assay. Application of the antibody against AhR re- condition, the ADMA and trans-aconitate clearance were sulted in a positive band for both 3-MC and fluvastatin significantly increased in pravastatin-treated Nx rats with- (Figure 5E, top). In addition, the nuclear recruitment of out changing creatinine clearance, although the GSA clear- AhR protein was further confirmed by Western blotting ance was not statistically significant (Figure 7, C through F). with a strong band in the nuclear extract by 3-MC and flu- Furthermore, the mRNA level of DDAHs, protein arginine vastatin (Figure 5E, bottom). These data suggested that st- N-methyltransferases, or other transporters was not atins regulate SLCO4C1 transcription through the AhR- changed (data not shown). These data strongly suggested XRE system. that pravastatin increased ADMA and trans-aconitate excretion in the proximal tubules. In addition, cardiac hyper- Statins Increase Tubular Uremic Toxin Excretion trophy was decreased in the pravastatin-treated group (Fig- On the basis of our results, we next examined the effect of statins ure 7G). in renal failure. In human kidney proximal cells, application of fluvastatin and pravastatin significantly potentiated the SLCO4C1 mRNA by 1.72- and 1.73-fold, respectively (Figure 6A). The uptake of thyroid hormone T3, a representative ligand of SLCO4C1, DISCUSSION was also significantly potentiated by fluvastatin and pravastatin by 1.3- and 1.4-fold, respectively (Figure 6B), suggesting the poten- Here, we found that the plasma concentration of uremic toxins tiation of SLCO4C1 function in the proximal tubules. ADMA, GSA, and trans-aconitate were significantly reduced in

2550 Journal of the American Society of Nephrology J Am Soc Nephrol 20: 2546–2555, 2009 www.jasn.org BASIC RESEARCH

A B C Rerative luciferase activity -780 GTAACAGGAAATATCCTCTCCATAGGGCGTAGGCCATAAATGACTTTGTAACTTTACTTC AP1 0 1.0 2.0 3.0 -720 ATCTTCTCCCTTTACATAGGGCATACCCAAAGTAACCAATGGAATCCTCTAGGGGGTATT C/EBP α Rerative luciferase activity -660 TAAACTCCCCAAAATTCTGTAACCGGGCCTTTGAGCCCCTATGCTCGCCCGTTCCCACAC H O 01.02.03.0 2 -600 TGTGGAGTGTACTTTCATTTTCAATAAACCCCTTCATTCCTTCCTTGCTTTGTTTGTGCG HNF3α DMSO(0.1%) -540 TTTTCTTCAATTCTTTCTTCAAGATGCCAAGAACCTGGACACCTTCTACCAGTAACAGGA -2064 -126 -115 // 3MC(5) -480 TGACAGGCAAGAGTCTTATCAAGATGCTCATGAACCAAAGTATACCTCTGACGTCTTGAT GATA-1 CREβ XRE Sp1 * * -420 TCTTGGAGTCCAAGCCTAGACTGCTTTGGTAAGCAGCAAAGGAAGAAAACGCAAGATAGT Quer(10) -964 -360 TTCCTGAACAATCTCCTGATGCAACTGTTTACAGGTTTCATGTCAGCACCCAAGGGGAGC GT box t-BHQ(10) XRE Sp1 * -300 TTATGGCCAGAGACTCCCACAGTCTCTGTGTGTTCCCAGTGCTTGGGCTCAAGGGAGGCG C/EBP β -504 Flutamide(10) -240 CGCTGCGGGCTGAAGGCTCAGGTCAGAACCGCAGGGGCTTGGGCGGAGGCGGACTCCGGT * PPAR α GC box * -180 CGAAGGCTGTGGGGTGAGAACTCTCGCCCCCTCTACTCGGCCGCCGCCGGGTGGCACGCC XRE Sp1 I3C(10) XRE -120 CACGCCGCGCCTTCCGGTTGGTCCTTGAGGCGACGGGTGAGGCACAGCTGAGCGCCAAAG XRE -129 IS(10) - 60 CCACAGGCTGGGGCGCTAACGCCCCCGCTCAGCGCTCTGCGCTCCAGACAGCTGCGAGCT Sp1 * SP1 XRE Tauro(10) +1 GGAGTAGGAAGGTTCAGGCGGTGGCGGAGAGTGCGCTGGAGGCTGGAGGGCCAGGAGGCG DMSO SP1 SP1 SP1 -111 NS Prava(30) # +61 GGAAGCTTCCCGCACGGGGGCGCTGTCACCTGCCTGTGGGAGGAGCCAGAGAGGGACCTG 3-MC SP1 Sp1 +121 GCTCTGCTGCTCTGAAGCACCGGAGTCGGGAGAACCCATCCAGACATGAAGAGCGCCAAA Fluva(10) #

+181 GGTATTGAGAACTTGGCTTT Met

-126 -115 -126 -115 E Rerative luciferase activity D cyp1a1-XRE SLCO4C1-XRE F -129 -129 × 0 1.0 2.0 3.0 XRE Sp1 XRE mut Sp1 Input Input DMSO GGCACGCCCACGCCG GGCCTTTCCCTTTCG AhR-Ab AhR-Ab Simva # Rerative luciferase activity 0 1.0 2.0 3.0 Lova IgG IgG * -126 -115 -2064 Ceriva # // XRE Sp1 * DMSO 3-MC Fluva DMSO 3-MC Fluva Itava # -964 Meva # XRE Sp1 * AhR -504 Atorva # XRE Sp1 * Lamin-B Rosuva -129 * XRE Sp1 * Cila -129 α × NS H O -tubulin Pitava # XRE mut Sp1 2 -111 Fluvastatin NS Cy NuCy Nu Cy Nu Sp1 DMSO 3-MC Fluva

Figure 5. Transcriptional analysis and ligand screening are shown. (A) The 5Ј region of human SLCO4C1. Potential cis-acting sequences are indicated. Met, first methionine. (B) Promoter activity of human SLCO4C1. Deletion constructs of the human SLCO4C1 promoter region were analyzed with 3-MC (5 ␮M). *P Ͻ 0.05 (n ϭ 3 to 4 per group). (C) Enhancement of promoter activity of human SLCO4C1 with various compounds (concentration as indicated, ␮M). Quer, quercetin; t-BHQ, tert-butylhydroquinone; I3C, indole-3-carbinole; IS, indoxyl sulfate; Ͻ # Ͻ ϭ Tauro, taurocholic acid; Prava, pravastatin; Fluva, fluvastatin. *P 0.05 versus DMSO; P 0.05 versus H2O(n 3 to 4 per group). (D) Effect of fluvastatin (10 ␮M) on human SLCO4C1 transcription. Deletion constructs and loss-of-function mutation construct in XRE motifs of human SLCO4C1 were examined. *P Ͻ 0.05 (n ϭ 3 to 4 per group). (E) ChIP assay and Western blotting of 3-MC or fluvastatin-treated cells. (Top) After application of 3-MC (1 ␮M) or fluvastatin (10 ␮M), fixed cell extract was analyzed by mouse cyp1a1 XRE or human SLCO4C1 XRE PCR. (Bottom) Western blotting of nuclear and cytoplasmic fractions from HEK293T cells were stained with antibodies against AhR, Lamin B, or ␣-tubulin antibodies. Cy, cytosolic fraction; Nu, nuclear fraction. (F) Enhancement of human SLCO4C1 promoter activity with various statins (10 ␮M) using the minimal promoter region (Ϫ129). *P Ͻ 0.05; #P Ͻ 0.01 (n ϭ 3 to 4 per group).

TG(ϩ)Nx rats. The guanidino compounds are a large group of Acute fluoroacetate poisoning in humans mainly affects the structural metabolites of arginine, and the concentrations of central nervous system, cardiovascular system, and kidney, GSA and ADMA are markedly increased in renal failure.2,3 and the biochemical effects include TCA cycle blockade, respi- GSA accumulation causes various harmful effects, such as in- ratory failure, and metabolic acidosis and lactate accumula- hibition of platelet aggregation hemolysis and convulsions.26 tion.28 Trans-aconitate administration also increased BP and Likewise, ADMA is the most specific endogenous compound generated oxidative stresses in rats. These data suggest that the with inhibitory effects on NO synthesis, and it has also been overexpression of SLCO4C1 in the renal proximal tubules in implicated in the development of hypertension and adverse TG(ϩ) rats causes the beneficial effect of excretion of harmful cardiovascular events.6,7 Trans-aconitate, known as anti-feed- uremic toxins such as ADMA, GSA, and trans-aconitate and ant in brown plant hoppers,27 is an inhibitor of aconitase and proposes a new approach to decrease uremic toxins and to inhibits the TCA cycle16; however, its existence in mammals, reduce the exacerbation of renal function in patients with CKD especially in renal failure, was not previously known. Com- (Figure 8). pounds that inhibit the TCA cycle are “poison.” It is also widely Here we show that statins function as a nuclear receptor ligand known that fluoroacetate is a “suicide” substrate for aconitase. recruiting the AhR-XRE system and upregulating SLCO4C1 tran-

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A aromatic hydrocarbons.31 Because of the prominently catalyzing role, it has been believed that compounds that induce cyp1a1 ac- 2.5 * tivation are detrimental to humans and animals; however, it is also ratio 2.0 * reported that induction of cyp1a1 is a sensitive but nonspecific indicator of AhR binding and activity, and the induction of 1.5 cyp1a1 and activation of AhR are not synonymous with dioxin- like toxicity, including carcinogenesis.32 Clinically, various weak GAPDH 1.0 AhR ligands, such as flutamide, omeprazole, and atorvastatin, were identified32 but the Food and Drug Administration approves 0.5 usage of these compounds, and in fact, they do not produce diox- 0 in-like toxicities, including carcinogenesis in humans. Because st- / SLCO4C1 Control Fluva Prava atins have been used for a long time with a high safety and toler- µ µ ability profile, induction of SLCO4C1 by statins in the kidney in 10 M 100 M patients with CKD and ADPKD may be a safe and new therapeu- B tic tool to excrete uremic toxins and for reduction of renal inflam- * mation. 30 * We also found that the activation potency of the AhR-XRE system differs between cyp1a1 and slco4c1 in the kidney. In the rat 20 liver, cyp1a1 was significantly induced by flutamide (329-fold) and omeprazole (79-fold), although renal cyp1a1 was weakly upregulated by flutamide (three- fold) and omeprazole (15-fold; 10 Supplemental Figure 3, A and B). It is also reported that some fmol/mg protein statins significantly induced cyp1a1 in kidney but rather weakly in 3

T the liver, suggesting that statins act as AhR ligands mainly in the 0 kidney.32 Conversely, the renal activation of slco4c1 by flutamide Conctol Fluva Prava and omeprazole was quite weak (Supplemental Figure 3C). Thus, 10µM 100µM further exploring for drugs that upregulate human SLCO4C1 Figure 6. Effects of statins on SLCO4C1 expression and function only in the kidney much more potently than statins should be a in vitro. (A) Real-time PCR of SLCO4C1 in ACHN cells with fluva- new clinical tool for patients with CKD and ADPKD to decelerate statin (10 ␮M) or pravastatin (100 ␮M; n ϭ 3 per group). (B) The renal damage and to delay initiating hemodialysis. ␮ uptake of T3 by ACHN cells treated with fluvastatin (10 M) and Metabolomics is an emerging tool that can be used to gain pravastatin (100 ␮M). *P Ͻ 0.05 (n ϭ 3). insights into cellular and physiologic responses. By CE-MS, we identified various renal failure–related compounds (Supple- scription to facilitate the excretion of uremic toxins like a trans- mental Figure 2, Supplemental Tables 1 through 4). In renal gene phenotype. In patients with CKD, therapy with statins has failure, indoxyl sulfate, creatinine, GSA, and guanidinoacetate the potential not only to lower cardiovascular morbidity and were reported as uremic toxins.4 Increase of citrulline and tri- mortality but also to slow the progression of renal disease.22 The methyl N-oxide,33 3-methylhistidine,34 N,N-dimethylgly- effects are thought to be dependent on such mechanisms as a cine.35 and allantoin36 and decrease of carnitine,37 Trp, and reduction of endothelial dysfunction, inhibition of inflammatory Tyr38 were also reported in renal failure. responses, and reduction of oxidative stress.22,29 Recently, the re- On the other hand, increase of trans-aconitate, 4-acetylbu- lationship between statin administration and ADMA was exam- tyrate, hexanoate, argininosuccinate, ␣-aminoadipate, and ined in humans. The serum level of ADMA in metabolic syn- pipecolate and decrease of desethylatrazine and methionine drome was reduced by fluvastatin.30 Thus, our data provide new sulfoxide so far have not been reported in renal failure (Sup- scientific bases for renal protection to facilitate the excretion of plemental Figure 2). Thus, our data will be useful for clarifying uremic toxins in patients with CKD by drugs including statins as the metabolic pathway of renal failure. “transporter potentiators” (Figure 8). Because the significantly increased levels of GSA and ADMA were reported in patients with autosomal dominant polycystic kidney disease (ADPKD),5 our CONCISE METHODS data also support the clinical study and will be a new clue for Materials further protection of renal damage in patients with ADPKD. Pravastatin was provided by Daiichi-Sankyo (Tokyo, Japan). Other Cytochrome P-450 (CYP) comprises a superfamily of enzymes statins were purchased from Sequoia Sciences (St. Louis, MO). that catalyze oxidation of numerous xenobiotic chemicals, including drugs, toxic chemicals, and carcinogens, as well as endobi- Construction of Kidney-Specific TG Rats otic chemicals.31 Among these CYP enzymes, cyp1a1 is important The mutated coding region of human SLCO4C110 was inserted into the in the metabolism of carcinogens such as dioxin and halogenated pGEM-sglt2–5pr-mut plasmid containing kidney-specific sglt2 pro-

2552 Journal of the American Society of Nephrology J Am Soc Nephrol 20: 2546–2555, 2009 www.jasn.org BASIC RESEARCH

A B C

240 io 2.0 0.8

rat * 200 1.5 0.6 Gapdh

160 / 1.0 0.4 control 120 pravastatin 0.5 0.2 Ccr (ml/min) Systolic BP (mmHg) 80 Slco4c1 0.0 0.0 0102030 Control Prava Control Prava Time (d) D E F ) * 0.12 2.0 * 0.8

1.5 ml/min 0.6 nitate

0.08 o Figure 7. Effects of pravastatin in vivo. (A) BP in control and pravasta- -ac 1.0 0.4 0.04 tin-treated (0.1 mg/ml drinking wa- 0.5 0.2 ter) rats after five-sixths Nx (n ϭ 6to Trans clearancem (l/min) 7 per group). (B) The mRNA expres- 0.00 0.0 0.0 GSA clearance ( GSA clearance sion of rat slco4c1 in the kidney af- ADMA clearance (ml/min) Control Prava Control Prava Control Prava ter pravastatin administration (n ϭ 11 per group). (C through F) Renal G * * clearance of creatinine (C), ADMA 2.5 2.5 (D), trans-aconitate (E), and GSA (F) 3 wk after five-sixths Nx (n ϭ 5to7 2.0 2.0 per group). (G) Thickness of the in- 1.5 1.5 terventricular septum (IVSTd) and 1.0 1.0 left ventricular posterior wall at end- IVSTd (mm) 0.5 0.5 diastole (LVPWTd) before and after LVPWTd (mm) five-sixths Nx (n ϭ 6 to 7 per group). 0.0 0.0 *P Ͻ 0.05. Control Prava Control Prava moter.11 The linear purified plasmid was injected into the pronuclei of human SLCO4C1 (Supplemental Figure 1A). All animal experiments fertilized oocytes of Wistar rats. Pups were analyzed for the genomic were approved by the Tohoku University Animal Care Committee. integration by Southern blotting and by PCR amplification of tail DNA using the following primers: Forward (mouse sglt2) 5Ј-tccccccacttctgtt- tcccagtctatgt-3Ј and reverse (human SLCO4C1) 5Ј-acgcgatctgcagaatt- Immunohistochemistry agcttgggctc-3Ј. Reverse transcriptase–PCR was carried out using the same The rabbit antiserum against 107 peptides of the N-terminus of hu- primers that can amplify the full length of human SLCO4C1 cDNA. Re- man SLCO4C1 was raised and immunopurified. Western blotting sultant TG(ϩ) rats showed normal breeding and development with no and immunohistochemistry were performed as described previous- obvious phenotypic abnormalities in body weight, water and food intake, ly,39 and the quality was confirmed by peptide absorption (Supple- and renal functions compared with TG(Ϫ) littermates, whose genetic mental Figure 1, B and D). The mouse mAb against CD68 was pur- background is the same as that of TG(ϩ) rats except for expression of chased from Serotec (Martinstried, Germany).

Figure 8. Uremic toxins and ROS SLCO4C1 transporter in renal failure. Argininosuccinate ADMA is formed by protein arginine Pyruvate N-methyltransferase (PRMT) from ar- PRMT ginine and degrades to citrulline by Trans-aconitate GSA L-Arginine ADMA Citrate - DDAH. Note that SLCO4C1 facili- aco tates the excretion of GSA, ADMA, DDAH and trans-aconitate and that statins Cis-aconitate increase the expression and the func- TCA cycle - Citrulline tion of SLCO4C1, resulting in reduc- aco SLCO4C1 tions of the uremic toxins and BP. Trans-aconitase inhibits aconitase ac- + tivity and induces reactive oxygen Isocitrate Statins species (ROS). Aco, aconitase. Urinary excretion

J Am Soc Nephrol 20: 2546–2555, 2009 SLCO4C1 Ameliorates Hypertension 2553 BASIC RESEARCH www.jasn.org

Nephrectomized Rat Model and BP Measurement antibody against AhR (BIOMOL, Plymouth, PA) or nonspecific anti- Five-sixths nephrectomized rats were generated as previously report- rabbit IgG. The recovered DNA was then subjected to PCR using primers ed.10 Briefly, male TG rats were intraperitoneally anesthetized with that amplify regions containing the XRE elements of the human ketamine (30 mg/kg) and xylazine (2 mg/kg) and subjected to five- SLCO4C1 gene (forward primer 5Ј-AAGGGGAGCTTATGGCCA- sixths renal ablation. At the time of surgery, rats were prepared for GAGACTC-3Ј and reverse primer 5Ј-TCGCCTCAAGGACCAACCG- telemetric monitoring of BP (Data Sciences Int., St. Paul, MN).40 GAAG-3Ј) or mouse cyp1a1 gene (forward primer 5Ј-CTATCTCTTA- AACCCCACCCCAA-3Ј and reverse primer 5Ј-CTAAGTATGGT- Echocardiogram GGAGGAAAGGGTG-3Ј). Nuclear and cytoplasmic fraction extracts Rats were anesthetized with ketamine (50 mg/kg) and xylazine (10 were prepared and Western blotting was performed as described previ- mg/kg) and studied with Doppler imaging by echocardiogram. The ously39 using antibodies against AhR, Lamin B (Santa Cruz Biotechnol- thickness of the interventricular septum and the left ventricular pos- ogy, Santa Cruz, CA), and ␣-tubulin (Sigma-Aldrich, St. Louis, MO). terior wall at end-diastole were measured as described previously.41 Real-Time PCR Analysis CE-MS Method for Metabolome Analysis We performed real-time PCR analysis with probe sets from Applied A comprehensive and quantitative analysis of charged metabolites by Biosystems (Foster City, CA). CE-MS was performed.13 Metabolites were first separated by CE on the basis of charge and size and then selectively detected using MS by moni- Statistical Analysis The data are means Ϯ SEM. We used an unpaired t test for compar- toring over a large range of m/z values. Plasma and urine ADMA were isons between two groups. For multiple comparisons, we used two- measured by HPLC. Anionic and cationic compounds that were in- way ANOVA with repeated measures in Figures 2A, 3H, and 7A and creased or decreased after Nx in both of the generated rat lines were Supplemental Figure 1D and ANOVA on rank in Supplemental Fig- nominated as statistically significant and are summarized in Supplemen- ure 3, A through C. We derived P values for Supplemental Figure 1C tal Figure 2 (all analyzed CE-MS data are in Supplemental Tables 1 using log-rank test. In Figure 4, Spearman rank correlation was cal- through 4). In the human plasma analysis, the protocols conformed to culated. P Ͻ 0.05 was considered to be significant. the ethical guidelines and approvals of both Tohoku University and Na- gasaki University. Informed consent was obtained from each participant. ACKNOWLEDGMENTS The eGFR was calculated with the formula42 eGFR (ml/min per 1.73 m2) ϭ 175 ϫ creatinineϪ1.154 ϫ ageϪ0.203 ϫ 0.742 (if female) ϫ 0.741. This work was supported in part by research grants from the Miyagi Kidney Foundation; the Ministry of Education, Science and Culture Measurement of Reactive Oxygen Species The free radical formation within the human kidney proximal cell line of Japan; the Yokoyama Clinical Pharmacology Foundation; and Ja- HK-2 evoked by trans-aconitate (100 ␮M) was monitored by mea- pan Science and Technology Agency. surement of the changes in fluorescence resulting from the oxidation We thank T. Shindo and H. Shima for maintaining TG rats and I. of dihydroethidium to ethidium as the increase of ethidium produc- Nakamura for secretarial assistance; S. Endo, Y. Yoneki, Y. Ohsaki, T. tion (U/s)43 using a 505-nm dichroic mirror with the 605/55-nm Mori, and T. Naganuma (Tohoku University) for advice on animal band-pass filter of an IX71 microscope (Olympus, Tokyo, Japan). experiments; N. Anzai (Kyorin University) for discussion; and S.J. Karp (Harvard Medical School) for manuscript reading. Transcriptional Assay The human SLCO4C1 promoter DNA fragments were amplified by DISCLOSURES PCR, and the amplified fragments were inserted into the pGL3 basic None. luciferase expression vector (Promega, Madison, WI). The point muta- REFERENCES tion of two XREs was generated by PCR. Two micrograms of plasmid construct was transfected with 0.1 ␮gofRenilla Luciferase Reporter Vec- 1. Go AS, Chertow GM, Fan D, McCulloch CE, Hsu CY: Chronic kidney tor PhRL-TK (Promega) as well as co-transfection with AhR and AhR disease and the risks of death, cardiovascular events, and hospitaliza- 18 nuclear translocator expression vector. Forty-eight hours after ligand tion. N Engl J Med 351: 1296–1305, 2004 treatment, reporter assay was performed using Dual Luciferase Reporter 2. Kielstein JT, Zoccali C: Asymmetric dimethylarginine: A novel marker Assay System (Promega). Incubation with activators of constitutive an- of risk and a potential target for therapy in chronic kidney disease. drostane receptor (clotrimazole and TCPOBOP), pregnane X receptor Curr Opin Nephrol Hypertens 17: 609–615, 2008 3. Marescau B, Nagels G, Possemiers I, De Broe ME, Becaus I, Billiouw (rifampicin), and peroxisome proliferator–activated receptor ␣ (bezafi- JM, Lornoy W, De Deyn PP: Guanidino compounds in serum and urine brate, fenofibrate, clofibrate, and LTB4) did not affect the SLCO4C1 tran- of nondialyzed patients with chronic renal insufficiency. Metabolism scription (data not shown). 46: 1024–1031, 1997 4. Vanholder R, Van Laecke S, Glorieux G: What is new in uremic toxicity? 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Cohen BD: Methyl group deficiency and guanidino production in See related editorial, “Harnessing Transporters to Clear Uremic Toxins,” on pages 2483–2484. uremia. Mol Cell Biochem 244: 31–36, 2003 27. Watanabe K, Katsuhara M, Nakao H, Sato M: Detection and molecular Supplemental information for this article is available online at http://www. analysis of plant- and insect-associated bacteria harboring aconitate jasn.org/.

J Am Soc Nephrol 20: 2546–2555, 2009 SLCO4C1 Ameliorates Hypertension 2555 Supplementary Figure 1 Toyohara T. et al.

TG(-) TG(-) TG(-) A TG(+) TG(+) TG(+) 300 80 1.6

60 1.2 200 40 0.8

BW (g) 100

BUN (mg/dl) 20 Ccr (ml/min) 0.4

0 0 0.0 0w 3w 0W 3W 0W 3W B C Human kidney 1.2 P=0.118 KDa PEP(-) PEP(+) 1.0 89 0.8 TG(+) 0.6 60 0.4 Survival rate 0.2 TG(-) 0.0 0 10 20 30 Time (d) TG(-) D TG(+) * * 150 140 130 120 110 100 90

Systolic BP (mmHg) 80 0min 60min

Supplementary Figure 1 Characterization of TG rats. (A) Body weight and biochemical examinations of

nephrectomized TG rats (n=16-20 per group). (B) Western blotting with whole human kidney protein using

antibody against human SLCO4C1. A single band was abolished by peptide absorption, suggesting the speciﬁcity

of the antibody. (C) Survival rate of TG(-) rat (n=41) and TG(+) rat (n=40) after 5/6 nephrectomy. Kaplan-Meier

curves and log-rank test were used to analyze the mortality rates. P=0.118 by log-rank test.

(D) Blood pressure after intraperitoneal-injection of trans-aconitate (400mg/kg) to TG(-) rat and TG(+) rat

(n=3 per group). Supplementary Figure 2 Toyohara T. et al.

) * ) *

* ) M

anion M * * M * µ NS µ * NS µ

NS ( 6 ) 10 120 ( 8 M

µ 8 6 ( 4 80 6 4 -aconitate -aconitate 4 40 2 2 2 Indoxyl sulfate ( sulfate Indoxyl Hexanoate Hexanoate Trans 4-Acetybutyrate 4-Acetybutyrate

) 0 0 0 0

M 0w 3w 0w 3w 0w 3w 0w 3w ) µ

( *

M NS

400 * NS µ 16 ( TG(-) 300 12 TG(+) 200 8 100 4 0 0 0w 3w Argininosuccinate 0w 3w 2-Hydroxypentanoate 2-Hydroxypentanoate * * ) * * ) * M NS cation µ * M

NS ( * 4 ) 2.0 400 160 µ )

( NS M M µ ( 120 1.5 3 µ 300 ( 80 1.0 2 200 40 0.5 1 100 Citrulline Citrulline Creatinine Creatinine -Aminoadipate -Aminoadipate

0 0.0 a 0 0 0w 3w 0w 3w 0w 3w 0w 3w Guanidinosuccinate Guanidinosuccinate

) * * ) * M

* µ

M * ( NS * NS

) 25 50 1200 * µ 50 )

NS ( * NS M M 1000 µ

20 40 40 µ ( ( 15 30 30 800 600 10 20 20 400

5 10 10 Allantoin 200 Pipecolate Pipecolate 0 0 0 0 0w 3w 3-Methylhistidine 0w 3w 0w 3w 0w 3w N,N-Dimethylglycine N,N-Dimethylglycine )

M * * ) ) µ * ( * NS * 140 M 12 * 90 * M 120 µ µ ( ( * ) 120 75 100 M

100 µ 8 ( 60 80 NS N-oxide N-oxide 80 NS 45 NS 60 60 40 4 30 40

20 Carnitine 15 20 0 0 0 0 Desehtylatrazine Desehtylatrazine

0w 3w Guanidinoacetate 0w 3w 0w 3w 0w 3w ) Trimethylamine Trimethylamine * * * M

* µ * 160 * ( 12 80 TG(-) 10 ) 120 ) 60 TG(+) M M NS 8 NS µ NS µ ( 80 ( 40 6 Trp Trp Tyr Tyr 4 40 20 2 0 0 0 0w 3w 0w 3w 0w 3w Methionine sulfoxide sulfoxide Methionine

Supplementary Figure 2 Metabolome analysis of uremic toxins measured by CE-MS. Anionic and cationic compounds that were signiﬁcantly increased or decreased after nephrectomy were nominated (all analyzed data are in Supplementary Tables 1 - 4). Note that, among these, the plasma levels of GSA and trans-aconitate were signiﬁcantly decreased in TG(+)Nx rats 3 weeks after nephrectomy. Closed column; TG(-) rats, open column; TG(+) rats. *P<0.05. (n=4-5 per group). Supplementary Figure 3 Toyohara T. et al. A B * * * *

ratio 400 25 * ratio

300 20 Gapdh Gapdh / / 15 200 10 Cyp1a1 100 Cyp1a1 5

Liver 0 0

Control Flutamide Omeprazol Kidney Control Flutamide Omeprazol C D

Binding site A 5’- CT C A C G C GA -3’ * Binding site B 5’- GG C A C G C AC -3’ Binding site C 5’- CG C A C G C TA -3’ ratio 1.5 * Binding site D 5’- CT C A C G C AA -3’

Binding site E 5’- GT C A C G C TA -3’

Gapdh 1.0 / Binding site F 5’- CG C A C G C TA -3’

XRE 5’- G C A C G C A -3’ 0.5 consensus T T Slco4c1 X SLCO4C1 1st XRE 5’- G G C A C G C CC-3’ 0.0 X X SLCO4C1 2nd XRE 5’- C C C A C G C CG-3’ Kidney Control Flutamide Omeprazol

Supplementary Figure 3 Different Induction of cyp1a1 transcription by atypical AhR ligands. QT-PCR analysis of rat liver cyp1a1 (A), kidney cyp1a1 (B) and kidney slco4c1 (C) after administration of ﬂutamide (15.6 mg/kg/day) or omeprazole (125 mg/kg/day). Compounds were administered to Sprague-Dawley rats in corn oil by oral gavage once daily in the morning (Coe et al, 2006). Three days after administration, the mRNA level was measured by QT-PCR. *P<0.05 (n=3 per group). (D) Alignment of representative XRE motifs (Wu & Whitlock, 1993) and putative consensus sequence (Nioi & Hayes, 2004). Note that, although the XRE core sequence is conserved in human SLCO4C1, its surrounding 5’- and 3’-nucreotide sequences were not identical to the other XRE consensus motifs. O, consensus pattern; X, non-consensus pattern.

Coe KJ, Nelson SD, Ulrich RG, He Y, Dai X, Cheng O, Caguyong M, Roberts CJ, Slatter JG (2006) Proﬁling the hepatic effects of ﬂutamide in rats: a microarray comparison with classical aryl hydrocarbon receptor ligands and atypical CYP1A inducers. Drug Metab Dispos 34: 1266-1275

Nioi P, Hayes JD (2004) Contribution of NAD(P)H:quinone oxidoreductase 1 to protection against carcinogenesis, and regulation of its gene by the Nrf2 basic-region leucine zipper and the arylhydrocarbon receptor basic helix-loop-helix transcription factors. Mutat Res 555: 149-171

Wu L, Whitlock JP, Jr. (1993) Mechanism of dioxin action: receptor-enhancer interactions in intact cells. Nucleic Acids Res 21: 119-125 Plasma Anion(µM) Supplementary Table 1 Toyohara T. et al.

TG(+) 0W TG(-) 0W 0W TG(+) 3W TG(-) 3W 3W TG(+) TG(-) Compound ＴＴＥＳＴＴＴＥＳT ＴＴＥＳＴＴＴＥＳＴ 1 2 3 4 5 Average ＳTＤEV 1 2 3 4 5 Average ＳTＤEV TG(-)/TG(+) 1 2 3 4 5 Average ＳTＤEV 1 2 3 4 5 Average ＳTＤEV TG(-)/TG(+) 3w/0w 3w/0w p value p value p value p value Phenaceturate 3.3 1.8 1.8 2.7 2.7 2.5 0.64 2.4 2.3 3.2 1.6 1.5 2.2 0.71 0.591 0.903 21 12 7.8 24 6.9 14.5 7.9 15 79 50 11 36 38.1 28.0 0.106 2.636 0.009 5.897 0.021 17.223 3-Indoxyl sulfate 18 15 12 27 17 18.0 5.5 19 23 30 10 13 19.0 8.1 0.830 1.054 99 81 84 74 24 72.4 28.3 111 100 104 45 107 93.2 27.5 0.273 1.287 0.003 4.020 0.000 4.908 Allantoate 15 17 16 26 8.4 16.6 6.4 16 16 29 11 5.8 15.7 8.7 0.847 0.942 52 41 40 43 34 42.1 6.7 62 104 77 38 63 69.0 24.2 0.043 1.640 0.000 2.526 0.002 4.397 Hippurate 11 11 10 10 8.5 10.1 1.1 11 22 20 21 16 18.0 4.6 0.006 1.779 62 93 72 13 1.6 48.2 39.3 163 24 36 16 94 66.8 62.1 0.587 1.386 0.062 4.758 0.118 3.707 N-Acetyl-beta-alanine 4.3 5.3 4.9 4.8 5.2 4.9 0.36 4.6 5.5 4.6 5.1 3.7 4.7 0.66 0.613 0.964 10 10 7.9 11 8.3 9.4 1.2 10 35 15 7.6 11 15.7 10.9 0.237 1.666 0.000 1.924 0.055 3.327 3-Hydroxybutyrate 92 92 72 136 106 99.3 23.8 90 101 136 112 92 106.4 18.8 0.615 1.072 429 478 406 514 515 468.5 49.5 335 318 471 328 246 339.6 81.8 0.017 0.725 0.000 4.718 0.000 3.191 Cysteine S-sulfate 5.8 4.6 4.9 3.3 2.6 4.2 1.3 4.5 5.5 6.0 4.5 5.1 5.1 0.64 0.209 1.209 10 11 11 35 36 20.5 13.8 10 18 25 12 15 16.1 5.6 0.531 0.787 0.031 4.831 0.002 3.144 4-Pyridoxate 0.63 0.44 0.26 0.65 0.37 0.47 0.17 0.47 0.65 0.68 0.35 0.08 0.45 0.24 0.862 0.949 1.5 1.6 1.2 0.85 0.55 1.1 0.42 2.3 1.3 1.7 0.78 0.72 1.3 0.64 0.544 1.195 0.013 2.386 0.020 3.003 Isethionate 1.8 1.6 2.0 1.4 0.93 1.5 0.41 1.5 2.0 2.8 2.1 1.4 2.0 0.55 0.209 1.271 5.3 4.3 4.8 7.4 5.3 5.4 1.2 3.3 8.2 6.5 5.4 4.5 5.6 1.9 0.868 1.032 0.000 3.499 0.003 2.839 Gluconate 17 19 15 25 18 18.8 3.8 20 28 33 21 14 23.0 7.7 0.300 1.226 38 36 32 82 44 46.3 20.3 38 65 53 44 84 56.7 18.2 0.418 1.225 0.018 2.461 0.005 2.460 2-Hydroxypentanoate 118 127 114 101 109 113.9 9.7 108 224 114 126 123 139.0 48.2 0.288 1.220 268 296 286 248 327 284.8 29.8 367 323 333 189 357 313.8 71.9 0.429 1.102 0.000 2.500 0.002 2.258 4-Acecylbutyrate 3.6 3.9 4.4 3.3 3.0 3.7 0.55 4.0 1.9 2.5 2.6 2.7 2.7 0.79 0.066 0.749 5.5 6.8 5.3 6.7 8.2 6.5 1.2 7.1 6.2 5.9 6.2 5.2 6.1 0.68 0.558 0.943 0.001 1.776 0.000 2.237 2-Hydroxy-4-methylpentanoate N.D. 3.1 N.D. 3.0 2.4 2.8 0.40 N.D. 3.5 N.D. N.D. N.D. 3.5 #DIV/0! #DIV/0! 1.230 5.6 6.7 6.4 5.2 4.1 5.6 1.0 7.5 4.0 6.1 N.D. 6.2 6.0 1.4 0.669 1.065 0.005 1.973 #DIV/0! 1.708 Pimelate 1.4 1.0 0.74 1.0 0.57 1.0 0.33 1.0 1.5 2.8 1.0 0.40 1.4 0.89 0.373 1.423 3.2 2.4 2.1 1.6 0.93 2.0 0.84 2.7 2.6 2.0 1.8 2.4 2.3 0.39 0.550 1.128 0.028 2.138 0.063 1.695 Hexanoate 5.6 6.3 6.0 4.3 6.6 5.8 0.87 5.3 5.2 5.2 6.4 4.6 5.3 0.64 0.412 0.927 6.2 11 8.7 7.8 7.1 8.1 1.7 9.1 8.6 8.4 9.2 7.1 8.5 0.85 0.653 1.049 0.026 1.406 0.000 1.590 Pantothenate 2.6 3.7 2.6 3.7 3.1 3.1 0.56 3.0 2.6 3.3 2.8 3.0 3.0 0.26 0.506 0.939 3.4 4.5 4.1 4.2 2.1 3.7 1.0 3.8 7.1 5.9 3.4 3.2 4.7 1.7 0.282 1.276 0.327 1.163 0.058 1.581 Azelate 1.3 1.1 0.71 1.4 1.1 1.1 0.27 1.2 1.2 1.9 1.3 0.90 1.3 0.37 0.381 1.172 2.3 1.6 1.5 1.5 1.2 1.6 0.42 2.0 1.8 1.7 1.5 2.8 2.0 0.53 0.311 1.199 0.047 1.469 0.053 1.503 Butanoate 7.4 14 15 8.7 14 11.7 3.4 15 16 6.9 8.6 13 11.8 4.0 0.979 1.006 10 23 19 17 19 17.6 5.0 25 19 14 17 12 17.6 5.0 0.990 0.998 0.061 1.500 0.079 1.488 3-Methylbutanoate 5.5 6.3 5.5 4.6 4.7 5.3 0.68 2.8 5.4 5.7 5.3 5.1 4.9 1.2 0.466 0.913 4.5 7.1 6.4 6.8 8.0 6.6 1.3 8.3 8.5 7.9 5.9 5.2 7.2 1.5 0.518 1.092 0.098 1.231 0.027 1.472 Galacturonate 1-phosphate 1.8 N.D. N.D. 2.9 N.D. 2.4 0.77 N.D. 2.2 N.D. N.D. N.D. 2.2 #DIV/0! #DIV/0! 0.914 N.D. 1.5 N.D. N.D. N.D. 1.5 #DIV/0! 3.2 2.5 3.3 N.D. 3.3 3.1 0.35 #DIV/0! 2.116 #DIV/0! 0.616 #DIV/0! 1.427 trans-Cinnamate 1.7 2.3 N.D. 2.1 1.9 2.0 0.26 1.7 1.8 3.1 0.73 1.6 1.8 0.84 0.657 0.897 3.2 3.5 4.0 3.5 2.5 3.3 0.57 3.3 2.1 2.2 2.4 N.D. 2.5 0.59 0.067 0.749 0.004 1.663 0.207 1.388 Glutarate 16 12 9.2 7.3 4.1 9.8 4.6 12 12 17 7.8 9.5 11.5 3.4 0.519 1.175 12 13 14 8.6 4.5 10.3 3.8 20 13 12 10 23 15.7 5.7 0.120 1.519 0.844 1.055 0.196 1.364 cis-Aconitate 2.4 7.0 2.6 2.3 3.4 3.5 2.0 4.2 4.7 4.4 6.6 5.0 5.0 1.0 0.189 1.402 5.2 5.5 3.3 4.5 3.9 4.5 0.91 5.2 11 3.7 4.0 8.7 6.5 3.3 0.214 1.458 0.369 1.263 0.337 1.314 Sebacate 0.26 0.22 N.D. N.D. 0.15 0.21 0.05 N.D. 0.23 N.D. 0.21 N.D. 0.22 0.02 0.901 1.026 0.38 N.D. 0.32 0.40 0.24 0.34 0.07 0.42 0.10 0.35 0.21 0.26 0.27 0.13 0.360 0.795 0.051 1.586 0.617 1.229 Lactate 2369 3011 2852 2737 2904 2774.4 247.2 2382 5055 3528 3868 3611 3688.9 953.8 0.072 1.330 2151 5169 4684 7000 5436 4888.1 1758.8 5325 5094 4622 2661 4046 4349.5 1063.2 0.574 0.890 0.029 1.762 0.331 1.179 Malate 12 17 10 10 8.6 11.5 3.2 12 17 23 13 10 15.0 5.1 0.234 1.301 16 32 16 27 20 22.2 7.1 38 16 5.5 12 8.8 16.2 13.0 0.388 0.728 0.015 1.935 0.849 1.082 N-Acetylaspartate 2.7 1.5 1.5 3.4 2.2 2.3 0.80 1.6 2.2 2.6 1.2 1.3 1.8 0.59 0.307 0.787 1.8 1.2 1.0 1.1 1.7 1.4 0.35 1.9 3.8 1.5 1.0 1.0 1.8 1.2 0.419 1.334 0.053 0.609 0.923 1.033 N-Acetylglutamate 1.6 0.74 0.44 2.3 1.2 1.2 0.73 0.90 1.1 1.4 0.45 0.46 0.86 0.41 0.337 0.692 0.87 0.92 0.55 0.39 0.36 0.62 0.26 1.1 1.3 0.94 0.46 0.59 0.89 0.36 0.207 1.446 0.107 0.494 0.913 1.032 Pelargonate 12 7.3 12 7.0 6.7 8.9 2.6 10 8.5 8.5 8.0 6.6 8.3 1.2 0.666 0.935 9.1 16 7.6 6.5 9.3 9.6 3.5 11 8.9 6.9 7.2 7.1 8.2 1.8 0.446 0.852 0.722 1.081 0.905 0.986 Decanoate 6.7 9.4 9.1 7.6 6.4 7.8 1.4 10 10 9.0 5.9 6.2 8.1 1.9 0.848 1.026 3.4 7.3 6.1 5.8 6.0 5.7 1.4 9.3 6.3 8.6 6.6 5.2 7.2 1.7 0.171 1.258 0.043 0.730 0.474 0.895 Fumarate 2.5 2.9 3.6 1.7 2.2 2.6 0.73 2.1 3.7 4.0 3.1 2.9 3.2 0.75 0.252 1.223 4.1 4.6 3.1 4.1 2.5 3.7 0.87 4.4 3.4 2.1 2.6 1.6 2.8 1.1 0.204 0.761 0.058 1.435 0.593 0.893 3-Phenylpropionate 7.7 7.4 9.3 7.9 7.9 8.0 0.72 7.5 8.6 11 7.9 7.8 8.5 1.3 0.506 1.058 6.5 7.2 7.5 6.5 6.1 6.8 0.59 5.7 12 12 5.0 3.4 7.4 3.9 0.701 1.103 0.015 0.841 0.579 0.876 Glycocholate 1.9 1.5 1.8 2.4 1.7 1.9 0.32 0.90 4.9 0.83 N.D. N.D. 2.2 2.3 0.738 1.188 1.8 1.4 N.D. 1.8 1.1 1.5 0.36 2.3 2.1 1.4 0.94 2.0 1.8 0.56 0.473 1.164 0.158 0.808 0.672 0.791 4-Methyl-2-oxopentanoate 23 26 30 35 32 29.2 4.7 27 18 21 22 19 21.5 3.5 0.019 0.737 13 21 20 47 28 26.1 13.0 14 17 17 21 14 16.5 2.8 0.146 0.632 0.627 0.893 0.036 0.765 Quinate 12 12 16 15 15 14.2 1.8 12 14 12 14 14 13.3 1.0 0.394 0.941 12 9.1 8.8 6.8 14 10.2 2.8 12 7.9 11 8.7 8.8 9.7 1.8 0.747 0.951 0.028 0.717 0.004 0.724 Glycolate 37 31 44 74 46 46.2 16.7 43 27 35 38 34 35.3 6.0 0.209 0.765 35 37 18 32 38 32.0 8.1 27 31 18 N.D. N.D. 25.2 6.7 0.272 0.788 0.125 0.692 0.069 0.713 Pyruvate 200 240 259 202 236 227.3 25.7 220 384 202 298 281 277.1 72.3 0.185 1.219 50 153 115 444 172 186.9 151.1 249 216 156 170 160 190.3 40.7 0.963 1.018 0.572 0.822 0.048 0.687 2-Oxoisopentanoate 13 15 17 15 14 14.9 1.5 13 15 14 15 13 14.2 1.0 0.461 0.958 7.9 13 11 19 11 12.4 4.1 10 10 9.3 11 8.1 9.6 0.92 0.179 0.774 0.242 0.832 0.000 0.672 Glycerophosphate 8.5 11 7.8 7.6 7.7 8.6 1.6 7.4 6.9 10 7.0 7.6 7.8 1.2 0.365 0.900 4.5 5.1 4.0 7.4 4.0 5.0 1.4 3.5 5.6 6.2 5.2 3.6 4.8 1.2 0.850 0.967 0.005 0.579 0.005 0.622 Oxamate 27 5.7 7.3 23 17 15.9 9.4 15 N.D. 57 19 N.D. 30.2 23.3 0.254 1.899 6.6 8.9 N.D. 38 N.D. 17.9 17.6 7.6 33 20 N.D. 5.0 16.2 12.7 0.893 0.910 0.839 1.124 0.351 0.539 Ethanolamine phosphate 15 13 8.7 17 21 15.1 4.6 11 14 13 15 14 13.3 1.5 0.427 0.881 4.9 6.3 9.0 15 6.8 8.5 4.1 4.8 7.3 8.5 5.8 6.6 6.6 1.4 0.362 0.777 0.043 0.562 0.000 0.496 Heptanoate 7.9 7.1 8.7 7.4 7.0 7.6 0.71 10 7.8 6.1 5.9 7.1 7.3 1.5 0.703 0.961 3.0 4.1 3.4 2.8 4.0 3.5 0.58 3.2 3.3 4.0 3.7 3.5 3.5 0.31 0.855 1.016 0.000 0.455 0.001 0.482 Mucate 23 33 24 22 26 25.6 4.6 24 31 30 19 16 24.1 6.8 0.681 0.939 12 14 13 17 14 14.1 2.2 7.8 9.4 13 14 12 11.2 2.6 0.089 0.795 0.001 0.551 0.004 0.466 Citramalate 25 26 27 20 15 22.6 5.0 25 27 33 2.5 1.7 17.8 14.6 0.512 0.790 8.3 7.6 6.1 3.3 5.1 6.1 2.0 13 8.7 5.6 3.5 7.2 7.6 3.6 0.436 1.249 0.000 0.270 0.168 0.428 Cholate 7.4 3.5 6.3 27 28 14.5 12.1 14 67 12 6.5 20 23.9 24.8 0.467 1.650 13 9.1 15 7.5 1.7 9.3 5.3 10 N.D. N.D. 10 8.5 9.5 0.91 0.958 1.018 0.408 0.645 0.368 0.398 Octanoate 12 12 10 9.4 8.4 10.4 1.5 13 11 10 8.9 10 10.6 1.6 0.839 1.020 4.6 5.2 5.6 3.5 0.56 3.9 2.0 6.8 1.9 5.3 4.1 2.1 4.1 2.1 0.906 1.041 0.000 0.375 0.001 0.383 2-Oxoglutarate 52 62 50 46 30 48.0 11.8 52 78 157 64 28 75.8 49.2 0.255 1.579 20 49 34 26 21 29.7 11.9 43 17 N.D. 17 15 22.8 13.2 0.433 0.766 0.041 0.619 0.077 0.301 Succinate 25 27 23 22 21 23.6 2.4 37 461 70 31 24 124.8 189.0 0.266 5.287 17 24 20 17 17 19.0 3.2 28 77 9.5 12 19 29.1 27.5 0.435 1.536 0.034 0.804 0.295 0.234 Ribulose 5-phosphate 33 94 30 47 68 54.3 26.7 37 103 97 60 58 71.0 27.9 0.361 1.308 15 N.D. N.D. 29 N.D. 21.8 10.1 N.D. 14 16 16 7.3 13.3 4.1 0.190 0.612 0.171 0.401 0.005 0.188 trans-Aconitate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.6 2.4 1.7 1.8 1.9 1.9 0.31 5.4 4.7 2.8 3.9 6.6 4.7 1.4 0.003 2.450 #DIV/0! #DIV/0! #DIV/0! #DIV/0! Argininosuccinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5.4 3.7 11 6.4 N.D. 6.6 3.1 21 15 7.3 3.4 12 11.7 6.9 0.215 1.779 #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glyoxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Propionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Crotonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Hydroxypropionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Methanesulfonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tiglate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pentanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Malonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Hydroxyisobutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Hydroxybutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. 19 N.D. N.D. 53 35.7 23.9 N.D. N.D. 18 18 N.D. 17.6 0.19 0.398 0.495 #DIV/0! #DIV/0! #DIV/0! #DIV/0! (Methylthio)acetate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glycerate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyrrole-2-carboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Methyl sulfate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Furoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Acetylacrylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Oxopentanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. 4.3 4.3 #DIV/0! 5.3 1.4 3.8 4.0 3.5 3.6 1.4 #DIV/0! 0.844 #DIV/0! #DIV/0! #DIV/0! #DIV/0! Benzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Nicotinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Aminoethylphosphonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Aminoethylphosphonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Barbiturate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cyclohexanecarboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Itaconate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Citraconate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Oxohexanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Ureidopropionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Hydroxyhexanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Threonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! o-Hydroxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! p-Hydroxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! m-Hydroxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phosphonoacetate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Thiopheneacetate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! cis,cis-Muconate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Adipate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2.0 1.7 1.7 1.7 1.1 1.6 0.32 2.4 2.2 1.1 1.4 1.4 1.7 0.58 0.790 1.050 #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Methylthio-2-oxobutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tartarate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Benzoylformate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Carboxybenzaldehyde N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Methylanthranilate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Mandelate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! p-Hydroxyphenylacetate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cysteine sulfinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,5-Dihydroxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,4-Dihydroxypyrimidine-5-carboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Dihydroorotate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Oxooctanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Oxoadipate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Hydroxyoctanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 8-Hydroxyoctanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Formylaspartate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Hydroxy-3-methylglutarate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! p-Coumarate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cumate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Terephthalate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phthalate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Phenyllactate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 18 8.2 9.2 N.D. 15 12.6 4.8 12 N.D. N.D. N.D. 14 13.3 1.2 0.874 1.049 #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-(2-Hydroxyphenyl)propionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-(4-Hydroxyphenyl)propionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phosphoenolpyruvate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxy-3-methoxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxymandelate(Anh) N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cysteate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Amino-3-phosphonopropionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Dihydroxyacetone phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Sufanilate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Quinolinecarboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylleucine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phenyl phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Shikimate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Carbamoylaspartate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Isopropylmalate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Formylmethionine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! S-Carboxymethylcysteine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! p-Hydroxyphenylpyruvate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Homovanillate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Chelidonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Serine O-sulfate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! O-Phosphoserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Phosphoglycerate 3.2 11 2.1 5.5 13 7.0 4.9 4.2 6.2 10 10 6.9 7.5 2.6 0.853 1.068 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Undecanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 10-Hydroxydecanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Carbamylglutamate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylmethionine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucuronate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 19 12 11 21 9.4 14.5 5.0 19 32 25 12 22 22.3 7.4 0.087 1.537 #DIV/0! #DIV/0! #DIV/0! #DIV/0! trans-4-Hydroxy-3-methoxycinnamate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! o-Hydroxyhippurate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Syringate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxy-3-methoxymandelate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Erythrose 4-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Laurate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Sulfobenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Indolebutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Xanthurenate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Etidronate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6,8-Thioctate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylphenylalanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Benzylsuccinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Benzyloxycarbonylglycine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Saccharate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5.2 4.7 3.3 3.1 2.6 3.8 1.1 4.2 7.9 4.3 3.3 4.4 4.8 1.8 0.313 1.265 #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Deoxyribose 1-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Nitrophenyl phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Porphobilinogen N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3,5-Dinitrosalicylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ribose 5-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Dodecanedioate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-alpha-t-Boc-asparagine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Deoxyglucose 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Biotin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridoxal 5-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucosamine 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucose 1-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Fructose 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucose 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Sorbitol 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,3-Diphosphoglycerate 13 98 3.8 11 39 32.8 38.6 17 N.D. 47 N.D. N.D. 32.4 21.3 0.991 0.989 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Phosphogluconate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Sedoheptulose 7-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylmuramate N.D. 6.3 4.2 4.6 3.5 4.7 1.2 5.8 3.2 4.6 5.2 2.7 4.3 1.3 0.697 0.927 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 8-Anilino-1-naphthalene sulfonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylglucosamine 1-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylglucosamine 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylneuraminate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ribulose 1,5-bisphosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Fructose 1,6-diphosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Bis(p-nitrophenyl)phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Prostaglandin E2 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Prostaglandin F2alpha N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Orotidine 5'-monophosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Digalacturonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Trehalose 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Folate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Adenylosuccinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glycyrrhetinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Taurocholate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phosphoramidon N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! F N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5 0 plasma pyruvate Supplementary Table 1 - 4 1 Metabolome analysis of the nephrectomized TG rat plasma and urine by CE-MS. Measured plasma anions (Supplementary Table 1), plasma cations (Supplementary Table 2), urine anions (Supplementary Table 3), urine cations (Supplementary Table 4) are listed. Plasma compounds are listed in the order of magnitude of 3w/0w ratio of TG(-) rat. A higher 3w/0w ratio means a high concentration of the compound at 3 weeks after nephrectomy compared with the value before nephrectomy. Yellow indicate the compounds that show a statistically significant difference in the plasma concentration before and after nephrectomy. We only nominated compounds that showed differences between both TG(-) and TG(+) rats as well as two different TG rat lines. Furthermore, among the compounds depicted in yellow, we further chose compounds that showed significantly lower concentrations in TG(+) rats than in TG(-) rats 3 weeks after nephrectomy, which are depicted in red. Note that under these criteria, we could not find a compound whose plasma concentration was increased in TG(+) rats compared to TG(-) rats 3 weeks after nephrectomy. Statistical difference was determined by Studentʼs t-test. Plasma Cation (µM) Supplementary Table 2 Toyohara T. et al.

Compound TG(＋) 0W TG(-) 0W 0W TG(＋) 3W TG(-) 3W 3W TG(＋) TG(-) TG(- T 1 2 3 4 5 Average STDEV 1 2 3 4 5 Average STDEV TTEST 1 3 4 5 Average STDEV 1 2 3 4 5 Average STDEV TTEST 3W/0W TTEST 3W/0W TG(-)/TG(＋) )/TG(＋) T p value p value E p value Trimethylamine N-oxide 2.2 N.D. 2.9 2.6 1.5 2.3 0.60 2.9 2.1 2.3 1.9 N.D. 2.3 0.43 0.961 0.992 116 61 57 29 65.7 36.2 125 169 100 47 126 113.3 44.6 0.128 1.726 28.706 0.002 49.967 Creatinine 27 19 23 20 19 21.7 3.4 23 25 30 18 16 22.5 5.7 0.785 1.038 114 78 108 41 85.2 28.74 103 156 166 101 128 130.9 25.41 0.066 1.536 3.928 0.000 5.811 Allantoin 201 218 227 168 172 197.1 23.6 265 274 330 227 185 256.0 48.5 0.060 1.299 758 583 948 584 718.1 173.6 880 1396 1097 679 936 997.5 268.1 0.116 1.389 3.644 0.000 3.896 3-Methylhistidine 13 8.6 12 11 11 11.1 1.4 10 11 10 9.5 10.0 10.3 0.6 0.287 0.923 30 33 40 28 32.7 5.1 30 51 39 33 40 38.6 8.1 0.247 1.180 2.946 0.000 3.765 Citrulline 86 99 104 110 112 102.1 10.4 99 157 135 97 100 117.4 27.0 0.271 1.150 398 398 307 172 318.6 106.8 410 419 221 325 352 345.6 80.0 0.677 1.085 3.121 0.000 2.943 Pipecolate 5.9 4.4 6.0 9.1 9.1 6.9 2.1 7.2 8.8 8.1 6.0 4.0 6.8 1.9 0.930 0.983 14 15 15 21 16.2 3.1 14 23 16 24 18 19.0 4.3 0.308 1.174 2.338 0.000 2.792 Homoarginine N6-N6-N6-Trimethyllysine 1.5 2.0 N.D. N.D. N.D. 1.7 0.35 1.4 1.3 1.7 N.D. N.D. 1.5 0.17 0.317 0.846 2.9 2.6 3.1 2.4 2.8 0.32 3.8 2.8 2.9 2.7 3.0 3.0 0.43 0.341 1.096 1.588 0.001 2.057 N,N-Dimethylglycine 16 19 18 26 25 20.8 4.4 18 18 26 23 23 21.6 3.5 0.768 1.037 32 38 43 23 34.0 7.33 48 43 47 37 46 44.3 3.62 0.049 1.301 1.634 0.000 2.050 Ectoine 4.4 3.7 3.4 7.4 5.4 4.9 1.6 4.1 4.2 6.8 2.0 N.D. 4.3 2.0 0.639 0.879 9.6 8.9 2.8 1.9 5.8 4.0 9.6 11 7.2 3.5 4.1 7.0 3.2 0.619 1.218 1.186 0.184 1.644 alpha-Aminoadipate 1.7 1.5 1.3 1.8 1.6 1.6 0.18 1.7 1.5 1.7 1.4 1.4 1.5 0.14 0.616 0.967 2.6 2.4 3.6 2.9 2.9 0.54 2.2 3.4 2.0 2.6 2.3 2.5 0.56 0.341 0.869 1.799 0.006 1.617 Ornithine 35 32 45 30 29 34.4 6.5 32 39 33 27 35 33.1 4.4 0.724 0.963 39 45 36 76 49.0 18.7 48 58 53 35 48 48.4 8.7 0.951 0.988 1.425 0.008 1.462 5-Methyl-2'-deoxycytidine 0.86 0.77 1.1 0.60 0.91 0.85 0.16 1.0 2.3 1.3 1.9 1.6 1.6 0.45 0.013 1.892 1.7 1.9 1.8 1.5 1.7 0.2 2.7 2.0 2.0 1.8 2.1 2.1 0.37 0.098 1.220 2.036 0.105 1.313 Gly 278 226 248 231 252 247.0 20.4 236 244 305 249 229 252.8 30.4 0.734 1.023 398 266 374 238 319.4 78.8 249 394 319 404 292 331.7 66.6 0.807 1.038 1.293 0.042 1.312 Ala 471 516 516 478 525 501.2 24.5 487 522 449 618 605 536.3 73.4 0.341 1.070 434 512 770 521 559.2 145.8 666 993 489 714 535 679.5 198.0 0.346 1.215 1.116 0.168 1.267 Cytosine 1.0 1.3 1.0 1.7 1.2 1.2 0.28 1.0 1.8 1.1 1.7 2.1 1.6 0.47 0.230 1.254 4.2 1.8 1.0 0.45 1.9 1.6 2.3 1.2 2.1 1.8 2.2 1.9 0.45 0.955 1.024 1.501 0.259 1.226 Phosphorylcholine 7.2 7.2 6.0 8.2 8.0 7.3 0.89 6.7 5.5 6.8 5.9 7.2 6.4 0.70 0.117 0.879 6.8 8.0 9.3 4.7 7.2 2.0 5.4 9.3 8.8 7.3 6.7 7.5 1.6 0.830 1.036 0.987 0.203 1.164 4-(beta-Acetylaminoetyl)imidazole 0.28 0.26 0.28 0.24 0.18 0.25 0.04 0.31 0.24 0.40 0.14 N.D. 0.27 0.11 0.646 1.099 0.50 0.36 0.16 0.38 0.35 0.1 0.58 0.28 0.28 0.19 0.25 0.31 0.13 0.714 0.894 1.422 0.650 1.156 1-Methyladenosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! 0.20 N.D. N.D. N.D. N.D. 0.20 #DIV/0! #DIV/0! #DIV/0! 0.24 N.D. N.D. N.D. 0.24 #DIV/0! N.D. 0.34 0.19 N.D. 0.18 0.24 0.09 #DIV/0! 0.992 #DIV/0! #DIV/0! 1.153 Imidazole-4-acetate N.D. 4.6 5.7 5.0 5.8 5.3 0.59 N.D. 5.2 N.D. 6.7 N.D. 5.9 1.1 0.358 1.129 N.D. 4.6 N.D. N.D. 4.6 #DIV/0! 9.2 N.D. N.D. 4.5 N.D. 6.8 3.3 #DIV/0! 1.493 0.870 0.749 1.151 Hexamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. 1.0 1.0 #DIV/0! #DIV/0! #DIV/0! 0.87 0.94 N.D. 0.70 0.8 0.1 N.D. N.D. 1.9 0.84 0.58 1.1 0.73 0.541 1.340 #DIV/0! #DIV/0! 1.111 His 55 52 44 50 49 49.9 4.1 42 52 44 51 55 48.6 5.7 0.692 0.974 62 69 63 61 63.9 3.6 33 71 56 57 52 53.8 13.8 0.202 0.842 1.280 0.465 1.105 Lys 419 316 423 356 306 363.9 55.4 357 474 341 305 311 357.8 68.2 0.881 0.983 250 495 441 209 348.6 140.3 256 583 366 445 312 392.4 127.3 0.639 1.125 0.958 0.607 1.097 5-Aminolevulinate beta-Guanidinopropionate N.D. N.D. 0.50 0.65 N.D. 0.58 0.10 0.56 0.50 0.60 N.D. 0.41 0.52 0.08 0.489 0.899 0.63 0.49 0.64 N.D. 0.59 0.08 0.80 N.D. 0.59 0.44 0.41 0.56 0.18 0.815 0.953 1.021 0.677 1.083 Acetylcholine 0.21 0.31 0.28 0.17 N.D. 0.24 0.06 0.27 0.11 0.25 0.17 0.09 0.18 0.08 0.239 0.737 0.25 0.19 0.19 N.D. 0.21 0.03 0.26 0.19 0.16 0.15 N.D. 0.19 0.05 0.611 0.916 0.872 0.761 1.083 Glu Albizziine 111 97 67 156 121 110.1 32.7 104 97 180 74 66 104.3 45.4 0.822 0.947 184 174 152 130 160.3 20.9 143 110 85 128 98 112.9 20.90 0.020 0.704 1.456 0.716 1.083 Sarcosine 11 14 14 16 17 14.4 2.1 13 18 12 19 15 15.4 3.1 0.554 1.073 13 16 15 15 14.9 1.1 18 22 12 16 14 16.5 3.7 0.434 1.109 1.037 0.627 1.071 Cystathionine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 3.8 N.D. N.D. N.D. 3.8 #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 4.1 N.D. N.D. N.D. 4.1 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.069 Diethanolamine 1.5 2.1 2.0 1.6 2.4 1.9 0.38 2.1 1.5 1.4 1.9 2.1 1.8 0.32 0.666 0.948 2.5 1.7 1.7 2.0 2.0 0.38 2.0 2.0 2.0 1.9 1.7 1.9 0.12 0.774 0.973 1.039 0.449 1.067 N-Acetylglucosamine 4.7 7.8 6.6 N.D. 7.2 6.6 1.3 5.7 7.9 8.2 3.8 6.1 6.4 1.8 0.849 0.968 7.5 8.3 9.5 6.9 8.0 1.1 6.2 6.9 7.9 6.4 6.1 6.7 0.73 0.071 0.837 1.224 0.675 1.059 Cytidine 5.1 6.2 5.6 6.8 7.4 6.2 0.9 8.6 6.6 9.4 5.1 5.4 7.0 1.9 0.417 1.130 9.3 8.3 12 12 10.4 1.9 7.5 10 7.7 6.1 5.4 7.4 1.8 0.046 0.705 1.682 0.775 1.050 Phe 68 66 64 77 71 69.2 4.6 61 75 61 67 76 67.8 6.4 0.735 0.980 57 67 80 112 78.9 24.0 44 102 71 71 67 70.9 20.7 0.607 0.899 1.141 0.758 1.046 Carbachol 0.48 0.89 0.86 0.52 0.66 0.68 0.19 0.61 0.79 0.69 0.84 N.D. 0.73 0.10 0.650 1.074 0.68 0.62 0.69 0.45 0.61 0.11 0.75 N.D. N.D. N.D. N.D. 0.75 #DIV/0! #DIV/0! 1.226 0.897 #DIV/0! 1.024 Glutathione(ox) 1.1 2.9 0.76 1.2 3.8 2.0 1.3 1.1 2.6 2.2 1.7 1.8 1.9 0.57 0.894 0.955 1.3 2.2 2.5 1.0 1.8 0.68 1.9 1.2 1.6 2.9 1.7 1.9 0.62 0.842 1.051 0.903 0.975 0.993 gamma-Guanidinobutyrate 8.9 3.5 3.3 11 7.2 6.8 3.5 5.5 5.7 11 3.9 3.1 5.9 3.3 0.686 0.869 4.3 5.5 3.4 1.1 3.6 1.6 4.9 5.4 6.6 6.4 5.5 5.8 0.64 0.047 1.609 0.524 0.910 0.971 Met 50 58 48 56 56 53.7 4.04 44 44 48 60 60 50.9 7.35 0.523 0.948 40 60 51 46 49.0 8.5 36 66 51 50 42 48.9 11.0 0.982 0.997 0.914 0.754 0.961 1-Methylnicotinamide 0.46 N.D. 0.53 0.50 0.52 0.50 0.02 0.70 0.95 1.4 0.98 2.6 1.3 0.68 0.070 2.650 N.D. 0.48 N.D. 0.49 0.49 0.01 N.D. 0.48 0.52 0.60 3.5 1.3 1.5 0.516 2.608 0.970 0.938 0.954 Pro 216 326 329 302 306 295.9 46.0 261 299 248 450 433 338.2 96.2 0.401 1.143 223 279 302 217 255.4 41.6 350 430 222 311 285 319.5 77.1 0.181 1.251 0.863 0.743 0.945 5-Oxoproline 26 29 30 48 41 34.9 8.2 29 21 31 23 22 25.0 3.9 0.062 0.717 37 31 27 31 31.6 3.9 24 22 25 21 23 22.7 1.4 0.004 0.720 0.906 0.310 0.910 N-gamma-Ethylglutamine 6.2 5.9 5.5 6.3 6.8 6.1 0.48 5.4 7.0 5.6 5.0 5.1 5.6 0.84 0.260 0.915 5.4 7.8 8.6 7.1 7.2 1.2 4.6 5.7 3.4 6.2 5.0 5.0 1.0 0.031 0.695 1.177 0.358 0.894 Arg 178 185 190 174 183 182.0 5.6 169 260 212 196 225 212.6 30.2 0.082 1.168 146 237 140 68 147.7 69.2 184 280 182 167 134 189.1 54.5 0.347 1.281 0.812 0.436 0.889 Ile 60 74 67 80 71 70.4 6.7 61 79 48 82 79 69.9 13.0 0.956 0.994 60 71 80 125 83.9 28.5 60 63 65 63 59 62.2 2.5 0.128 0.741 1.193 0.276 0.889 o-Acetylcarnitine 0.49 N.D. N.D. 0.27 N.D. 0.38 0.11 N.D. N.D. N.D. 0.34 N.D. 0.34 #DIV/0! #DIV/0! 0.900 N.D. N.D. 0.61 N.D. 0.61 #DIV/0! N.D. N.D. 0.30 N.D. N.D. 0.30 #DIV/0! #DIV/0! 0.494 1.608 #DIV/0! 0.881 Serotonin N.D. 3.1 N.D. N.D. 2.6 2.9 0.37 N.D. N.D. 3.2 N.D. N.D. 3.2 #DIV/0! #DIV/0! 1.114 9.2 12 2.0 N.D. 7.8 5.2 3.7 1.5 3.6 2.3 N.D. 2.8 1.1 0.112 0.358 2.728 #DIV/0! 0.876 Gly-Leu 0.86 N.D. N.D. 0.84 0.81 0.84 0.03 0.80 0.89 0.72 0.72 N.D. 0.78 0.08 0.302 0.933 0.86 0.55 0.67 N.D. 0.69 0.16 0.63 0.88 0.66 0.73 0.52 0.68 0.13 0.958 0.992 0.822 0.231 0.874 Histamine 0.36 0.46 0.54 0.43 1.0 0.56 0.24 0.46 N.D. 0.74 0.56 0.46 0.55 0.12 0.948 0.982 0.43 0.93 0.27 0.27 0.48 0.31 0.90 0.34 0.64 0.32 0.17 0.48 0.29 0.991 0.995 0.848 0.639 0.858 Thr 263 328 359 360 301 322.2 41.5 257 353 272 480 397 351.5 91.9 0.534 1.091 209 210 416 350 296.6 103.8 162 436 266 334 300 299.6 100.0 0.966 1.010 0.920 0.418 0.852 Asn 46 47 57 51 49 50.0 4.3 55 52 41 75 66 57.9 13.2 0.237 1.159 31 42 70 53 49.0 16.6 38 73 38 56 41 49.2 15.5 0.988 1.003 0.982 0.367 0.850 Asp 18 16 11 30 25 19.8 7.7 14 14 21 17 13 15.6 3.2 0.292 0.788 14 30 16 14 18.5 7.8 24 9.7 11 12 9.2 13.3 6.2 0.292 0.715 0.936 0.473 0.850 Nicotinamide 1.8 3.0 1.5 2.6 3.4 2.4 0.71 2.3 2.8 3.0 3.4 3.5 3.0 0.42 0.217 1.225 1.8 1.9 2.0 2.1 1.9 0.1 1.5 2.4 2.6 4.2 1.8 2.5 0.8 0.302 1.304 0.793 0.388 0.844 Ser 278 205 219 244 220 233.1 28.7 199 235 232 234 248 229.5 18.4 0.820 0.985 184 191 236 194 201.2 23.7 134 266 182 198 186 193.2 47.3 0.769 0.960 0.863 0.148 0.842 Piperidine 0.24 0.37 0.38 0.22 0.22 0.29 0.08 0.33 0.29 0.28 N.D. N.D. 0.30 0.03 0.835 1.037 0.37 N.D. 0.26 0.29 0.31 0.06 0.24 0.27 N.D. 0.24 0.24 0.25 0.01 0.110 0.818 1.065 0.028 0.840 Methimazole Dihydrouracil 3030 2829 3121 1914 2645 2707.9 480.5 3523 2813 3808 2851 2896 3178.0 457.3 0.152 1.174 2712 2015 2438 2328 2373.2 288.4 3171 2926 1897 2575 2196 2553.2 519.7 0.558 1.076 0.876 0.078 0.803 Kynurenine 2.7 4.4 3.8 3.6 3.3 3.5 0.62 3.4 3.3 3.6 2.0 2.5 3.0 0.68 0.194 0.835 1.8 2.1 2.8 3.0 2.5 0.56 N.D. 2.9 1.8 3.2 1.6 2.4 0.77 0.868 0.966 0.692 0.263 0.801 1,4-Butanediamine 1.2 0.77 N.D. 0.74 0.75 0.87 0.24 0.72 0.79 1.3 0.75 0.85 0.87 0.22 0.998 1.001 0.63 0.64 0.74 N.D. 0.67 0.06 N.D. 0.93 N.D. N.D. 0.42 0.68 0.36 0.981 1.008 0.769 0.397 0.774 Leu 126 141 136 168 150 144.1 16.0 125 159 106 171 185 149.4 33.0 0.756 1.037 102 138 135 286 165.2 71.1 82 127 124 130 113 115.1 17.8 0.223 0.697 1.146 0.082 0.771 Hydroxyproline 52 64 72 74 73 66.8 9.3 69 81 72 75 67 72.9 5.5 0.242 1.091 49 54 76 37 54.2 16.5 47 69 37 79 47 55.9 17.4 0.883 1.032 0.811 0.071 0.767 5-Methoxy-3-indoleaceate 8.2 9.4 9.9 8.7 6.3 8.5 1.4 8.4 9.1 9.3 8.8 7.7 8.7 0.65 0.820 1.019 6.8 5.9 5.4 5.7 6.0 0.61 7.2 7.0 6.2 6.7 5.5 6.5 0.69 0.244 1.095 0.701 0.001 0.753 2'-Deoxycytidine 30 35 37 31 35 33.7 3.2 36 34 39 34 34 35.6 2.3 0.318 1.056 22 24 36 23 26.4 6.6 33 23 27 25 26 26.6 3.8 0.946 1.009 0.783 0.002 0.749 Val 175 202 197 228 209 202.2 19.3 174 217 142 255 252 207.9 49.2 0.815 1.028 153 167 196 359 218.6 95.2 118 182 156 168 147 154.4 24.2 0.184 0.706 1.081 0.060 0.742 N8-Acetylspermidine N.D. N.D. N.D. 0.13 N.D. 0.13 #DIV/0! N.D. N.D. 0.23 N.D. N.D. 0.23 #DIV/0! #DIV/0! 1.803 N.D. 0.16 0.23 0.17 0.19 0.04 N.D. 0.18 0.22 0.17 0.12 0.17 0.04 0.627 0.915 1.459 #DIV/0! 0.740 2-Aminobutyrate 5.9 6.7 5.9 5.7 6.0 6.0 0.37 6.1 9.2 5.7 6.0 5.6 6.5 1.5 0.502 1.081 4.9 5.6 7.6 5.9 6.0 1.1 4.2 5.4 3.9 5.7 4.2 4.7 0.83 0.081 0.779 0.994 0.043 0.716 Methionine sulfoxide 7.9 11 9.7 10 11 9.9 1.2 8.2 7.9 8.0 11 9.9 8.9 1.3 0.259 0.904 5.0 5.8 5.2 6.6 5.7 0.73 6.2 7.6 5.2 5.7 6.7 6.3 0.9 0.328 1.106 0.574 0.006 0.702 beta-Ala 5.7 3.8 4.5 6.0 5.5 5.1 0.8 4.5 5.3 5.8 5.0 5.2 5.1 0.4 0.973 1.003 2.6 2.9 3.1 2.8 2.9 0.19 3.3 3.6 2.7 4.5 3.5 3.5 0.57 0.091 1.229 0.562 0.002 0.688 5-Methylcytosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 0.51 N.D. N.D. 0.51 #DIV/0! #DIV/0! #DIV/0! 1.0 0.39 N.D. N.D. 0.71 0.46 0.48 N.D. 0.26 0.15 0.42 0.33 0.15 0.169 0.461 #DIV/0! #DIV/0! 0.646 Gln 840 877 824 815 817 834.7 25.8 890 605 812 679 718 740.9 112.0 0.106 0.888 536 538 713 545 583.0 75.3 429 463 472 530 406 459.9 42.48 0.029 0.789 0.699 0.001 0.621 Glycerophosphorylcholine 81 65 88 76 85 79.0 8.8 64 89 78 92 93 83.3 12.4 0.544 1.055 48 58 30 21 39.3 16.8 85 37 32 48 49 50.3 20.9 0.422 1.280 0.498 0.016 0.605 GABA 1.7 N.D. N.D. 2.8 2.2 2.2 0.53 1.6 1.7 2.0 N.D. N.D. 1.8 0.17 0.230 0.796 N.D. 1.3 1.1 N.D. 1.2 0.17 1.1 N.D. N.D. N.D. 0.93 1.0 0.13 0.327 0.836 0.551 0.014 0.578 Glucosamine N.D. 2.0 N.D. 2.0 1.9 2.0 0.0 1.9 1.3 2.5 1.5 1.6 1.8 0.4 0.472 0.890 1.2 N.D. 0.71 1.1 1.0 0.24 0.86 0.90 N.D. 1.3 1.0 1.0 0.20 0.915 1.019 0.504 0.022 0.576 Tyr 54 53 54 65 64 57.9 6.1 55 91 55 64 60 65.0 15.1 0.357 1.123 28 47 37 48 39.8 9.7 24 60 46 30 26 37.2 15.4 0.780 0.935 0.688 0.020 0.573 Betaine 279 237 271 353 403 308.7 67.6 212 326 343 413 460 351.1 94.6 0.438 1.137 182 241 120 138 170.4 53.9 263 167 139 198 200 193.3 46.6 0.517 1.134 0.552 0.010 0.550 Spermidine 2.2 0.72 0.36 0.88 0.93 1.0 0.72 1.1 1.0 1.5 0.58 0.57 1.0 0.40 0.856 0.933 0.27 0.59 0.39 N.D. 0.41 0.16 0.35 0.86 0.52 0.31 0.27 0.46 0.24 0.770 1.118 0.403 0.046 0.482 Creatine 122 141 121 99 125 121.5 15.1 118 144 140 89 87 115.5 27.3 0.676 0.950 24 48 286 309 166.7 151.5 55 26 59 78 40 51.6 19.8 0.131 0.310 1.371 0.003 0.447 gamma-Butyrobetaine 2.3 1.8 2.1 2.1 2.0 2.1 0.15 2.2 2.6 2.3 1.8 1.7 2.1 0.34 0.932 1.008 0.92 1.0 0.91 0.74 0.9 0.13 1.1 0.96 0.84 1.0 0.75 0.9 0.14 0.755 1.033 0.431 0.000 0.442 Taurine 343 225 213 286 360 285.2 66.6 253 260 330 293 304 287.8 31.9 0.938 1.009 199 331 206 177 228.2 60.2 126 64 70 251 124 126.7 61.4 0.076 0.555 0.800 0.002 0.440 Desehtylatrazine 95 97 107 97 102 99.8 4.7 99 90 82 124 109 100.7 16.5 0.906 1.009 45 53 60 74 57.9 12.4 31 46 35 70 33 42.9 16.1 0.169 0.740 0.580 0.001 0.426 Carnitine 86 85 78 63 66 75.6 10.8 82 47 70 61 64 64.7 12.8 0.186 0.856 26 27 25 36 28.3 5.2 30 19 23 32 23 25.4 5.4 0.445 0.898 0.375 0.000 0.393 Guanidoacetate 5.9 6.5 6.1 7.4 7.8 6.7 0.77 7.2 11 10 7.2 7.6 8.6 1.62 0.066 1.283 2.3 5.5 3.3 1.1 3.0 1.9 3.2 1.6 1.7 4.1 2.0 2.5 1.1 0.620 0.830 0.452 0.000 0.292 Trp 120 112 137 120 120 121.7 9.1 121 113 108 161 135 127.4 21.0 0.595 1.047 48 63 59 74 61.2 10.8 25 29 27 77 28 37.2 22.4 0.092 0.608 0.503 0.000 0.292 Hypotaurine 12 11 12 18 20 14.6 4.3 13 15 15 18 21 16.4 3.2 0.467 1.127 1.9 3.8 4.8 2.4 3.2 1.15 1.7 2.2 2.4 3.1 2.1 2.3 0.39 0.186 0.711 0.223 0.000 0.141 Adenine N.D. N.D. N.D. 0.37 0.37 0.37 0.00 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.69 N.D. N.D. N.D. 0.69 #DIV/0! N.D. 0.56 0.43 0.33 0.43 0.44 0.09 #DIV/0! 0.630 1.892 #DIV/0! #DIV/0! 7-Methylguanine N.D. N.D. N.D. 0.45 N.D. 0.45 #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.74 0.94 0.63 N.D. 0.77 0.1 0.86 1.1 0.76 0.57 0.75 0.81 0.18 0.759 1.058 1.708 #DIV/0! #DIV/0! Triethanolamine 1.3 2.0 1.7 1.6 1.5 1.6 0.23 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.6 3.9 2.3 3.4 2.8 1.0 2.2 1.8 1.0 1.3 2.3 1.7 0.54 0.076 0.604 1.704 #DIV/0! #DIV/0! N-epsilon-Acetyllysine 0.99 1.1 1.0 0.90 1.1 1.0 0.07 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.5 1.2 1.4 1.3 1.4 0.16 1.1 1.8 1.2 1.2 1.2 1.3 0.26 0.701 0.956 1.343 #DIV/0! #DIV/0! Acetoacetamide N.D. N.D. 16 N.D. N.D. 15.8 #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. 16 N.D. N.D. 16.3 #DIV/0! N.D. 13 N.D. N.D. N.D. 13.2 #DIV/0! #DIV/0! 0.814 1.032 #DIV/0! #DIV/0! Phosphocreatine 27 30 25 38 42 32.3 7.3 31 32 34 34 32 32.4 1.5 0.970 1.004 N.D. N.D. 15 N.D. 15.3 #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.473 #DIV/0! #DIV/0! Urocanate 13 7.0 4.0 21 16 12.0 6.7 7.8 6.8 17 6.0 3.2 8.2 5.2 0.343 0.680 1.5 2.8 2.0 3.4 2.4 0.84 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.201 #DIV/0! #DIV/0! Guanidinosuccinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.1 0.64 1.3 1.1 1.0 0.2 1.8 1.9 1.9 1.3 1.4 1.7 0.3 0.013 1.619 #DIV/0! #DIV/0! #DIV/0! 3-Aminopropionitrile N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Methylguanidine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isobutylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1,3-Diaminopropane N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Acetohydroxamate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isopropanolamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Hydroxyurea N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Trimethylsulfonium N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cysteamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyrimidine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Methylpyrazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Amino-1,2,4-triazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Piperazine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isoamylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Aminopropane-1,2-diol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Aniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Hydroxypyridine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxymethylimidazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Methyl-2-pyrrolidone N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Aminocyclopropane-1-carboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 1.2 0.75 N.D. N.D. 1.0 0.34 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Azetidine-2-carboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Betaine aldehyde N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Hexylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cadaverine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Methylalanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Cyanopyridine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,3-Diaminopropionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Amino-2-methyl-1,3-propanediol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Methylaniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phenylhydrazine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Aminophenol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Uracil N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Muscimol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! beta-Cyanoalanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Aminovalerate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 3.4 N.D. N.D. N.D. 3.4 #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Benzimidazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,4-Diaminobutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Alpha-Methylserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Homoserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Amino-3-hydroxybutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Purine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Benzamidine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cys N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Benzamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Amino-2-(hydroxymethyl)-1,3-propanediol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phenethylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,6-Dimethylaniline alpha-Methylbenzylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N,N-Dimethylaniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,4-Dimethylaniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isonicotinamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Picolinamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Chloroalanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Methylhistamine 0.16 0.10 N.D. 0.13 N.D. 0.13 0.03 0.10 0.12 0.23 N.D. N.D. 0.15 0.07 0.665 1.156 N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Melamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isoquinoline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Quinoline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Amino-1-cyclopentanecarboxylate N.D. N.D. 1.8 N.D. N.D. 1.8 #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Metformin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Octylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylputrescine N.D. 0.69 0.87 0.89 N.D. 0.82 0.1 N.D. N.D. 0.96 N.D. N.D. 1.0 #DIV/0! #DIV/0! 1.177 N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Agmatine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Aminohexanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Bis(3-aminopropyl)amine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Gly-Gly N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Aminoindole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Aminoindole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Aminobenzimidazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxyindole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Homocysteine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Acetanilide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Hypoxanthine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! p-Aminobenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Anthranilate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isoniazid N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tyramine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phenylethanolamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Hydroxynicotinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Histidinol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Methyl-5-thiazoleethanol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5,6-Dimethylbenzimidazol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Trientine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isatin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! O-Acetylserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Nornicotine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! threo-beta-Hydroxyaspartate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Methyladenine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Methylaminopurine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,6-Diethylaniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Guanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Amantadine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Mesalamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Hydroxyanthranilate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Dopamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pseudopelletierine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! 0.31 N.D. N.D. N.D. N.D. 0.31 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! beta-Imidazolelactate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Indoleacetonitrile N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ibotenate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Indole-3-acetaldehyde N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Betonicine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pargyline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ala-Ala N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.97 N.D. N.D. N.D. 1.0 #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tolazoline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tryptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Methylglutamate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 1.4 N.D. N.D. 1.4 #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Indole-3-ethanol N.D. 2.5 N.D. N.D. N.D. 2.5 #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Deoxystreptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Hydroxylysine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Nicotine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Lumazine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Methylguanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridoxal N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Synephrine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridoxamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridoxine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Noradrenaline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Diphenylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Deisopropylatrazine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Indole-3-acetamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylornithine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Gramine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-omega-Methyltryptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. 0.29 1.3 0.81 0.74 #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Indole-3-acetate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Guanidinobenzimidazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Canavanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Alliin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cys-Gly N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Xanthopterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Mannosamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Fusarate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Methionine sulfoximine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! o-Phenanthroline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! beta-Tyr N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Harman N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Eﬂornithine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Epinephrine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-alpha,N-alpha-Dimethylhistidine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Quisqualate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Castanospermine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,6-Diaminoheptanedioate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Methoxytryptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Hydroxy-3-indoleaceacetate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6.3 6.0 5.6 5.0 5.7 0.56 N.D. 6.2 N.D. 7.2 5.4 6.3 0.87 0.375 1.091 #DIV/0! #DIV/0! #DIV/0! Diethyl-2-phenylacetamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucosaminate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tyrosine methyl ester N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! DOPA N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylhistidine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.47 0.20 N.D. N.D. 0.34 0.19 N.D. N.D. N.D. N.D. 0.33 0.33 #DIV/0! #DIV/0! 0.963 #DIV/0! #DIV/0! #DIV/0! Hydroxyartazine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 0.17 N.D. N.D. 0.17 #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tacrine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Arginine ethyl ester N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Spermine 0.90 N.D. N.D. N.D. N.D. 0.9 #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tryptophanamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Desthiobiotin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Aminopenicillanate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! beta-Ala-Lys N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Methoxy-N,N-dimethyltryptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! o-Succinylhomoserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! trans-Zeatin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Hydroxytryptophan N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylglucosylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Hydroxykynurenine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Carnosine 1.7 N.D. N.D. N.D. N.D. 1.7 #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! gamma-Glu-2-aminobutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Melatonin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3.1 N.D. N.D. N.D. 3.1 #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Sepiapterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 7,8-Dihydrobiopterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Anserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Homocarnosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Thymidine Diphenylcarbazide 7.9 N.D. N.D. 9.4 9.0 8.8 0.65 4.9 7.7 N.D. 5.9 5.6 6.1 1.05 0.020 0.689 N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Uridine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 57 48 60 52 54.4 5.3 69 76 65 53 63 65.3 8.4 0.059 1.201 #DIV/0! #DIV/0! #DIV/0! N1-Acetylspermine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Octopine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridoxamine 5'-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Aminophenylsulfone N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! gamma-Glu-cys N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Muramate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2'-Deoxyadenosine 5'-Deoxyadenosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Purine riboside N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 7,8-Dihydroneopterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Thiamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N6-Methyl-2'-deoxyadenosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4,4'-Methylene bis(o-chloroaniline) N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2'-Deoxyguanosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Adenosine N.D. N.D. N.D. 0.39 0.31 0.35 0.06 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Homocystine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 1.7 N.D. N.D. N.D. 1.7 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Inosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glu-Glu N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Guanosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Xanthosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 4.5 N.D. N.D. 1.6 3.1 2.1 #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ophthalmate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Methylthioadenosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Scopolamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Z-Gly-Pro N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-alpha-Benzenolarginine ethylester N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Iodotyrosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glutathione(red) N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Aminoimidazole-4-carboxamide ribotide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Thiamine monophosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Riboﬂavin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! S-Lactoylglutathione N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! S-Adenosylhomocysteine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! S-Adenosylmethionine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Leu-Leu-Tyr N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Leupeptin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3,5-Diiodo-tyrosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Methyltetrahydrofolate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Psychosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3,3',5-Triiodothyronine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Urine Anion (nmol/day) Supplementary Table 3 Toyohara T. et al.

Compound TG(＋) 0W TG(-) 0W 0W TG(＋) 3W TG(-) 3W 3W TG(＋) TG(-)

TTEST TTEST TTEST TTEST 1 2 3 4 5 Average STDEV 1 2 3 4 5 Average STDEV TG(-)/TG(＋) 1 2 3 4 5 Average STDEV 1 2 3 4 5 Average STDEV TG(-)/TG(＋) 3W/0W 3W/0W p value p value p value p value Glyoxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Propionate N.D. 777 542 N.D. N.D. 659.2 117.7 229 611 471 N.D. 438 437.3 137.0 0.042 0.663 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 1254 N.D. N.D. 1254.2 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2.868 Glycolate 554 668 724 792 626 672.9 81.5 718 679 815 693 744 729.6 48.1 0.764 1.084 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. 600 N.D. 599.7 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.822 Crotonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyruvate 351 428 518 529 280 421.2 96.0 451 395 386 595 446 454.6 74.9 0.801 1.079 524 436 701 266 294 444.2 159.3 838 404 711 686 898 707.4 170.7 0.001 1.593 0.072 1.055 0.477 1.556 Butanoate 303 608 491 218 101 344.1 183.3 251 979 707 919 859 742.9 261.9 0.276 2.159 87 80 254 N.D. 158 144.9 70.2 298 N.D. N.D. N.D. 149 223.6 74.2 0.687 1.543 0.115 0.421 0.013 0.301 Oxamate 440 2787 2139 754 545 1333.0 950.7 416 2613 1418 7239 5512 3439.6 2555.1 0.408 2.580 1283 2893 2657 394 6071 2659.7 1935.0 4551 1537 2908 2262 752 2402.0 1293.6 0.713 0.903 0.712 1.995 0.349 0.698 Lactate 515 418 511 1221 477 628.2 298.3 566 718 563 533 479 571.7 79.6 0.558 0.910 2162 2050 1433 548 382 1314.9 738.9 2164 1335 5049 1083 3621 2650.3 1491.1 0.082 2.016 0.342 2.093 0.036 4.636 3-Hydroxypropionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Methanesulfonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tiglate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pentanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Methylbutanoate N.D. N.D. 46 N.D. N.D. 46.1 0.0 N.D. 83 N.D. 139 99 107.2 23.5 #DIV/0! 2.325 N.D. N.D. N.D. N.D. 165 165.4 0.0 84 N.D. N.D. N.D. N.D. 84.3 0.0 #DIV/0! 0.510 #DIV/0! 3.585 #DIV/0! 0.786 Malonate 95 236 196 206 183.2 53.2 203 395 279 289 291.6 68.2 0.324 1.591 N.D. N.D. N.D. N.D. 92 92.0 0.0 N.D. N.D. N.D. 249 N.D. 249.1 0.0 #DIV/0! 2.709 #DIV/0! 0.502 #DIV/0! 0.854 2-Hydroxyisobutyrate 102 137 190 N.D. 81 127.4 41.2 156 133 N.D. N.D. N.D. 144.6 11.2 0.721 1.135 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. 97 N.D. 97.4 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.674 2-Hydroxybutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Hydroxybutyrate 136 361 434 672 267 373.8 179.1 490 471 229 404 433 405.4 93.3 0.869 1.085 1087 2163 1073 728 N.D. 1262.6 539.4 2374 3486 3200 1170 1998 2445.8 834.7 0.072 1.937 0.045 3.378 0.017 6.033 (Methylthio)acetate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glycerate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyrrole-2-carboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Methyl sulfate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Furoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Acetylacrylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Fumarate 324 681 685 169 239 419.7 220.6 612 278 525 338 351 421.0 126.1 0.704 1.003 188 271 207 156 75 179.5 64.1 191 202 349 222 177 228.2 62.3 0.127 1.271 0.051 0.428 0.131 0.542 2-Oxoisopentanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 25 N.D. N.D. 24.9 0.0 #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! 35 24 34 17 50 31.9 11.2 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.281 4-Oxopentanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Hexanoate 21 28 N.D. N.D. N.D. 24.6 3.3 N.D. 42 N.D. N.D. 47 44.6 2.2 0.690 1.811 N.D. N.D. N.D. N.D. 28 27.6 0.0 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.119 #DIV/0! #DIV/0! Succinate 4894 6932 6564 2269 5949 5321.7 1675.2 8479 87124 5135 4113 2528 21475.9 32882.1 0.383 4.036 3578 3709 4253 944 2036 2903.9 1226.2 2482 2353 7071 4960 1718 3716.8 2008.8 0.289 1.280 0.019 0.546 0.269 0.173 2-Hydroxypentanoate 486 1790 1618 848 859 1120.2 498.1 1742 4189 951 1154 1234 1854.0 1196.4 0.562 1.655 517 1013 1426 311 269 707.4 446.3 707 478 594 996 735 701.9 172.8 0.291 0.992 0.064 0.632 0.070 0.379 Benzoate N.D. 464 485 1058 440 611.8 258.1 N.D. 491 1225 2620 1086 1355.5 780.5 0.235 2.216 842 N.D. 2491 N.D. N.D. 1666.9 824.5 2299 N.D. 569 2021 2197 1771.6 701.4 0.399 1.063 0.345 2.725 0.689 1.307 Nicotinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Aminoethylphosphonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Aminoethylphosphonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isethionate 580 746 597 626 538 617.5 70.5 798 600 364 666 504 586.4 146.6 0.667 0.950 280 390 313 262 339 316.8 45.1 430 157 262 482 230 312.2 123.5 0.921 0.986 0.011 0.513 0.099 0.533 Barbiturate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cyclohexanecarboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Itaconate N.D. N.D. 26 N.D. N.D. 26.3 0.0 20 44 N.D. 33 27 31.0 8.5 #DIV/0! 1.176 37 16 N.D. 32 19 26.4 8.8 N.D. N.D. N.D. 17 N.D. 17.0 0.0 #DIV/0! 0.644 #DIV/0! 1.001 #DIV/0! 0.548 Citraconate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Methyl-2-oxopentanoate 43 37 41 48 52 44.2 5.4 45 46 72 67 39 53.9 13.3 0.996 1.219 90 108 59 33 18 61.6 33.7 128 115 254 82 143 144.3 58.6 0.020 2.341 0.265 1.393 0.045 2.675 4-Oxohexanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Acecylbutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Heptanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetyl-beta-alanine 50 63 217 72 66 93.4 62.0 306 111 65 85 96 132.5 87.9 0.609 1.419 201 152 174 90 93 142.0 44.1 138 101 143 134 136 130.4 15.0 0.993 0.918 0.791 1.521 0.498 0.984 Glutarate 1499 1821 1802 1063 1070 1451.1 334.1 1714 1298 1317 964 926 1243.7 286.0 0.457 0.857 1343 1642 2000 620 460 1213.1 589.8 1549 695 1012 1540 1119 1182.9 326.6 0.367 0.975 0.032 0.836 0.364 0.951 3-Ureidopropionate 446 608 507 583 555 539.9 57.6 624 717 467 545 696 609.8 93.7 0.913 1.129 258 357 378 183 174 270.0 84.9 280 165 146 392 194 235.5 90.5 0.977 0.872 0.003 0.500 0.016 0.386 2-Hydroxy-4-methylpentanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. 8 7.7 0.0 N.D. N.D. 71 N.D. 40 55.1 15.6 #DIV/0! 7.189 #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Hydroxyhexanoate 413 342 329 N.D. 449 383.2 49.6 N.D. 545 229 347 410 383.0 114.0 0.054 0.999 N.D. 151 N.D. N.D. 60 105.5 45.8 165 54 95 206 143 132.6 53.1 0.589 1.257 0.002 0.275 0.014 0.346 Malate 1572 4584 5379 691 1013 2647.7 1942.5 4056 1046 2816 2241 1537 2338.9 1048.8 0.635 0.883 1471 1651 1215 1002 275 1122.8 477.8 1038 1051 1688 1660 723 1232.2 379.5 0.331 1.097 0.093 0.424 0.200 0.527 Threonate 1173 1380 1311 1295 1412 1314.4 82.6 1314 1301 1007 1235 1096 1190.7 119.8 0.389 0.906 1311 1598 1857 788 1643 1439.3 369.2 1142 863 1225 1733 1546 1301.9 306.5 0.774 0.905 0.253 1.095 0.517 1.093 o-Hydroxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! p-Hydroxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! m-Hydroxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phosphonoacetate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ethanolamine phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Thiopheneacetate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! cis,cis-Muconate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Octanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Oxoglutarate 28323 88578 84231 10579 14948 45331.6 34069.5 71133 14241 46855 40855 28245 40265.8 19070.1 0.644 0.888 21601 33398 27169 12954 5620 20148.5 9897.4 17630 8750 9406 26727 9742 14451.1 6941.7 0.748 0.717 0.105 0.444 0.139 0.359 Adipate 606 552 513 422 404 499.2 76.7 511 708 474 769 651 622.8 113.2 0.988 1.247 320 346 323 192 114 259.0 90.7 241 191 142 514 203 258.2 131.9 0.634 0.997 0.004 0.519 0.008 0.415 4-Methylthio-2-oxobutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Citramalate 561 1208 1210 279 263 704.0 425.5 968 558 788 794 609 743.4 146.5 0.735 1.056 393 671 517 250 185 403.2 176.9 736 287 242 431 262 391.5 184.4 0.606 0.971 0.093 0.573 0.079 0.527 trans-Cinnamate 27 33 34 34 34 32.4 2.8 40 37 25 38 30 34.2 5.7 0.811 1.057 33 47 23 N.D. 18 30.5 11.1 46 25 76 31 6 36.6 23.4 0.432 1.198 0.045 0.942 0.615 1.068 Tartarate 36 127 131 60 64 83.6 38.3 164 105 57 50 79 90.9 41.3 0.995 1.087 69 47 76 N.D. 26 54.4 19.7 40 31 44 46 41 40.4 5.3 0.651 0.742 0.105 0.651 0.151 0.444 Benzoylformate 25 20 20 N.D. 22 21.6 2.2 22 31 N.D. N.D. N.D. 26.2 4.7 0.316 1.212 29 42 27 20 19 27.4 8.1 17 20 N.D. 36 N.D. 24.6 8.3 0.729 0.899 0.017 1.268 0.301 0.940 2-Carboxybenzaldehyde N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Phenylpropionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Methylanthranilate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Mandelate N.D. 61 81 N.D. 50 63.9 12.8 74 116 N.D. N.D. 42 77.2 30.5 0.948 1.208 N.D. N.D. N.D. N.D. 49 48.5 0.0 N.D. N.D. N.D. 63 N.D. 62.8 0.0 #DIV/0! 1.294 #DIV/0! 0.760 #DIV/0! 0.814 p-Hydroxyphenylacetate 762 515 441 734 965 683.4 187.1 481 555 438 523 384 476.2 60.9 0.117 0.697 675 818 656 420 443 602.4 150.5 225 167 235 954 517 419.6 293.4 0.505 0.696 0.052 0.882 0.407 0.881 Cysteine sulﬁnate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,5-Dihydroxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,4-Dihydroxypyrimidine-5-carboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Dihydroorotate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Oxooctanoate 703 374 852 589 597 622.8 156.5 821 355 418 272 620 496.9 198.7 0.558 0.798 148 247 721 146 31 258.7 241.2 202 29 87 223 156 139.4 72.4 0.463 0.539 0.002 0.415 0.082 0.280 Pelargonate 59 41 50 N.D. 55 51.1 6.9 91 40 49 N.D. 98 69.5 25.2 0.698 1.359 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Oxoadipate 1418 5856 4742 846 970 2766.3 2106.0 4878 1592 3128 1722 1399 2543.8 1317.6 0.728 0.920 471 1176 1021 580 402 730.0 310.1 722 331 256 1138 398 569.1 325.9 0.796 0.780 0.092 0.264 0.119 0.224 Pimelate 865 681 786 554 569 691.0 121.1 771 846 637 764 606 724.9 89.6 0.674 1.049 556 711 516 354 210 469.4 172.5 359 282 483 928 386 487.6 229.4 0.561 1.039 0.008 0.679 0.126 0.673 2-Hydroxyoctanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 8-Hydroxyoctanoate 70 N.D. N.D. 36 44 49.9 14.3 N.D. N.D. 23 13 39 25.0 10.9 0.161 0.500 N.D. N.D. 12 14 N.D. 13.0 0.8 N.D. N.D. 30 N.D. 18 24.1 5.9 0.464 1.860 0.159 0.260 0.785 0.965 N-Formylaspartate 53 168 110 N.D. 29 89.9 53.5 127 52 90 58 N.D. 81.6 29.8 0.649 0.908 47 51 N.D. 37 19 38.6 12.4 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.112 0.429 #DIV/0! #DIV/0! 3-Hydroxy-3-methylglutarate 201 335 362 123 156 235.5 96.0 359 201 249 285 208 260.5 57.8 0.854 1.106 242 353 322 190 147 250.9 77.6 229 201 166 433 218 249.7 94.2 0.628 0.995 0.180 1.065 0.469 0.958 p-Coumarate 31 41 50 31 31 37.0 7.7 44 22 34 17 8 24.9 12.9 0.320 0.673 N.D. N.D. 19 N.D. 23 21.3 2.0 N.D. N.D. 13 7 8 9.4 2.9 0.255 0.441 0.190 0.576 0.261 0.377 Cumate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Terephthalate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phthalate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Phenyllactate 263 284 273 N.D. 341 290.1 30.1 304 N.D. N.D. N.D. N.D. 304.2 0.0 #DIV/0! 1.049 514 541 561 377 498.3 72.0 137 125 380 620 462 344.8 190.9 0.532 0.692 0.514 1.717 #DIV/0! 1.133 3-(2-Hydroxyphenyl)propionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-(4-Hydroxyphenyl)propionate 490 258 262 542 301 370.7 120.6 481 315 380 310 266 350.3 74.9 0.824 0.945 536 344 224 149 1363 523.1 440.0 196 N.D. 203 461 216 269.2 111.1 0.432 0.515 0.727 1.411 0.296 0.768 Phosphoenolpyruvate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxy-3-methoxybenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxymandelate(Anh) 343 259 304 159 148 242.9 77.6 218 210 129 196 176 185.8 31.8 0.246 0.765 150 100 113 70 99 106.6 25.9 124 59 58 109 72 84.4 27.3 0.433 0.792 0.013 0.439 0.037 0.454 Cysteate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Amino-3-phosphonopropionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Dihydroxyacetone phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glycerophosphate 91 66 66 80 72 75.3 9.5 63 58 90 78 51 68.2 14.1 0.236 0.906 50 71 63 89 28 60.1 20.5 148 74 132 103 81 107.5 28.6 0.043 1.788 0.033 0.798 0.343 1.576 Decanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Sufanilate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Quinolinecarboxylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylleucine 81 72 31 29 61 54.8 21.0 76 81 10 23 59 49.8 28.2 0.676 0.909 54 71 53 20 69 53.5 18.4 87 31 28 49 31 45.2 22.2 0.622 0.844 0.259 0.977 0.364 0.907 Phenyl phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! trans-Aconitate 290 573 289 346 374.3 116.8 511 403 332 255 210 342.3 107.1 0.820 0.915 308 495 789 182 132 381.2 239.1 402 263 372 556 525 423.6 106.4 0.118 1.111 0.121 1.019 0.720 1.238 cis-Aconitate 1315 2673 2277 1383 2044 1938.3 522.1 2248 1910 1816 2135 2044 2030.8 154.4 0.654 1.048 1641 2252 1862 1126 1107 1597.7 438.7 1198 1123 1160 2357 1359 1439.3 465.8 0.960 0.901 0.067 0.824 0.129 0.709 Shikimate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylaspartate 216 216 255 148 137 194.5 45.0 207 172 170 185 157 178.2 17.1 0.447 0.916 228 212 211 77 148 175.5 56.3 181 151 114 260 144 170.1 49.7 0.795 0.969 0.070 0.902 0.398 0.955 Carbamoylaspartate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Allantoate 447 595 857 1522 2546 1193.7 770.1 1225 896 836 1180 908 1009.1 160.7 0.616 0.845 1117 1269 1217 623 1073 1059.7 229.3 1641 1101 1387 1913 1217 1451.6 293.5 0.201 1.370 0.328 0.888 0.808 1.439 2-Isopropylmalate 20 19 27 35 18 24.0 6.4 29 16 20 23 9 19.5 6.8 0.535 0.811 20 24 29 18 24 22.8 3.7 32 22 34 37 26 30.2 5.4 0.283 1.323 0.100 0.949 0.790 1.549 N-Formylmethionine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! S-Carboxymethylcysteine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Hippurate 19403 20544 23156 10218 10780 16820.3 5305.9 26609 17775 18601 15859 12682 18305.2 4624.6 0.898 1.088 24172 26521 20188 7457 342 15735.9 10127.4 12204 9861 22196 23252 17007 16903.9 5291.6 0.311 1.074 0.070 0.936 0.387 0.923 p-Hydroxyphenylpyruvate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Homovanillate 173 37 128 68 54 92.2 50.7 73 206 58 44 128 101.8 59.5 0.884 1.104 282 191 176 63 121 166.5 73.0 249 124 183 244 242 208.4 48.6 0.225 1.251 0.809 1.806 0.129 2.047 4-Pyridoxate 272 258 207 240 220 239.4 23.7 219 268 195 222 38 188.4 78.9 0.261 0.787 236 351 249 190 127 230.5 74.0 248 119 179 265 53 172.8 79.3 0.550 0.749 0.033 0.963 0.432 0.917 Chelidonate 50 88 86 N.D. 50 68.3 18.5 55 55 30 31 36 41.5 11.4 0.077 0.607 56 46 42 47 37 45.5 6.3 N.D. 30 32 50 44 38.9 8.2 0.689 0.855 0.017 0.666 0.456 0.938 Serine O-sulfate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! O-Phosphoserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Phosphoglycerate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Undecanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Azelate 338 206 208 142 185 215.8 65.3 192 259 195 286 250 236.6 37.0 0.605 1.097 289 187 226 95 92 178.0 76.2 102 49 79 361 168 152.0 111.4 0.987 0.854 0.036 0.825 0.114 0.642 10-Hydroxydecanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylglutamate 157 171 147 119 114 141.5 22.2 155 196 116 156 150 154.6 25.4 0.744 1.092 100 122 90 55 32 79.9 32.4 89 68 34 136 70 79.5 33.4 0.579 0.995 0.008 0.564 0.037 0.514 N-Carbamylglutamate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylmethionine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Quinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phenaceturate 2241 714 661 2585 9522 3144.4 3282.8 653 1897 842 1536 1389 1263.5 456.6 0.286 0.402 4480 2934 1539 3866 1695 2902.9 1160.5 1924 2767 1001 5214 4029 2987.1 1494.3 0.918 1.029 0.549 0.923 0.133 2.364 Glucuronate 1113 1035 1040 2261 2163 1522.3 564.5 1084 1426 998 1031 955 1099.0 169.0 0.167 0.722 1147 1211 1204 3483 3281 2065.2 1077.5 1148 881 1271 2794 2726 1764.0 823.1 0.497 0.854 0.741 1.357 0.576 1.605 trans-4-Hydroxy-3-methoxycinnamate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! o-Hydroxyhippurate 37 48 49 25 21 35.9 11.6 54 38 42 31 30 39.1 8.7 0.879 1.088 36 47 52 18 16 33.7 14.4 33 19 25 38 27 28.6 6.5 0.956 0.849 0.082 0.938 0.194 0.732 Gluconate 3421 5090 4921 6936 8478 5769.2 1754.6 4547 5026 2826 3826 4085 4062.0 741.6 0.188 0.704 3045 3487 3085 6691 6658 4593.3 1706.3 2166 1538 1348 7728 6893 3934.5 2782.2 0.547 0.857 0.269 0.796 0.448 0.708 Syringate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxy-3-methoxymandelate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Erythrose 4-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Laurate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cysteine S-sulfate 19 19 25 N.D. 20 20.6 2.7 19 15 25 30 N.D. 22.4 5.7 0.305 1.087 251 173 150 37 71 136.6 75.9 183 141 145 117 307 178.7 67.6 0.152 1.308 0.041 6.615 0.000 7.960 4-Sulfobenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Sebacate 7 7 6 60 42 24.5 22.5 5 15 10 32 46 21.6 15.2 0.693 0.881 17 12 15 10 7 12.0 3.6 10 7 6 17 11 10.3 3.7 0.851 0.859 0.154 0.490 0.131 0.478 3-Indolebutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Xanthurenate 3100 6077 5121 3035 5067 4480.0 1208.0 3784 5376 2068 4204 5518 4190.2 1252.1 0.403 0.935 N.D. 418 N.D. 552 468 479.6 55.3 N.D. N.D. N.D. 792 N.D. 791.6 0.0 #DIV/0! 1.651 0.031 0.107 #DIV/0! 0.189 Etidronate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6,8-Thioctate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylphenylalanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 23 N.D. N.D. N.D. 23.3 0.0 #DIV/0! #DIV/0! 36 28 22 N.D. N.D. 28.7 5.7 N.D. 11 N.D. 27 20 19.4 6.3 0.974 0.678 #DIV/0! #DIV/0! #DIV/0! 0.833 Benzylsuccinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Benzyloxycarbonylglycine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Saccharate 509 786 919 494 530 647.7 172.7 695 462 532 432 301 484.4 129.3 0.313 0.748 557 610 629 444 392 526.6 92.8 288 288 186 683 433 375.7 172.5 0.401 0.714 0.062 0.813 0.289 0.776 Mucate 164 318 323 108 150 212.8 89.9 277 108 112 84 70 130.0 75.0 0.349 0.611 206 216 398 59 108 197.4 116.4 123 76 91 199 202 138.1 53.2 0.503 0.700 0.109 0.928 0.545 1.062 3-Indoxyl sulfate 3638 1757 1401 2755 4107 2731.5 1042.5 2175 3918 2068 2208 2341 2542.0 693.6 0.488 0.931 3854 4097 3411 2252 1656 3053.9 943.7 3108 2437 2033 5207 4542 3465.2 1219.0 0.374 1.135 0.209 1.118 0.841 1.363 2-Deoxyribose 1-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Nitrophenyl phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pantothenate 226 268 296 247 197 246.9 33.9 314 551 187 102 64 243.6 176.0 0.813 0.987 160 216 248 53 137 163.1 67.7 273 148 215 204 189 205.7 40.5 0.114 1.261 0.011 0.661 0.354 0.844 Porphobilinogen N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3,5-Dinitrosalicylate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ribulose 5-phosphate 212 N.D. N.D. 359 232 267.5 65.0 N.D. 180 157 245 174 189.1 33.4 0.023 0.707 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! 220 108 315 299 244 237.0 73.2 #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.491 1.253 Ribose 5-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Dodecanedioate 6 3 2 N.D. 7 4.7 1.9 3 4 5 8 7 5.4 1.9 0.328 1.147 10 7 5 N.D. 4 6.3 2.6 6 2 2 5 5 4.1 1.9 0.323 0.647 0.294 1.343 0.046 0.758 N-alpha-t-Boc-asparagine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Deoxyglucose 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Biotin 310 318 297 256 328 302.0 24.9 298 262 215 314 280 273.9 34.4 0.363 0.907 409 334 227 177 87 246.9 113.6 122 104 242 287 209 192.9 69.9 0.727 0.781 0.020 0.818 0.113 0.704 Pyridoxal 5-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucosamine 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucose 1-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Fructose 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucose 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Sorbitol 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,3-Diphosphoglycerate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Galacturonate 1-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Phosphogluconate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Sedoheptulose 7-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Argininosuccinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 223 337 372 28 240.1 134.1 518 552 404 268 507 449.8 103.5 0.018 1.874 #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylmuramate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 8-Anilino-1-naphthalene sulfonate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylglucosamine 1-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylglucosamine 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylneuraminate 291 321 275 431 371 337.8 56.7 341 449 229 395 381 359.0 73.5 0.770 1.063 308 311 262 263 160 260.8 54.3 256 198 180 284 264 236.5 40.0 0.805 0.907 0.010 0.772 0.047 0.659 Ribulose 1,5-bisphosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Fructose 1,6-diphosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Bis(p-nitrophenyl)phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Prostaglandin E2 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Prostaglandin F2alpha N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Orotidine 5'-monophosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Digalacturonate 102 85 144 52 75 91.6 30.9 129 92 N.D. 50 27 74.3 39.0 0.697 0.811 74 132 138 N.D. 58 100.6 35.2 79 69 66 109 108 86.1 19.0 0.763 0.856 0.126 0.818 0.551 0.704 Cholate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 251 N.D. 28 N.D. 38 105.8 103.0 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Trehalose 6-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Folate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Adenylosuccinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glycocholate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glycyrrhetinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Taurocholate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phosphoramidon N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Urine Cation (nmol/day) Supplementary Table 4 Toyohara T. et al.

Compound TG(＋) 0W TG(-) 0W 0W TG(＋) 3W TG(-) 3W 3W TG(＋) TG(-)

1 2 3 4 5 Average STDEV 1 2 3 4 5 Average STDEV TTEST TG(-)/TG(＋) 1 2 3 4 5 Average STDEV 1 2 3 4 5 Average STDEV TTEST TG(-)/TG(＋) TTEST 3W/0W TTEST 3W/0W p value p value p value p value 3-Aminopropionitrile N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Methylguanidine N.D. 110 106 N.D. 62 92.6 21.5 101 N.D. 84 N.D. N.D. 92.3 8.3 0.850 0.997 N.D. 177 206 N.D. 56 146.2 65.1 178 117 147 138 141 144.2 19.9 0.048 0.986 0.156 1.579 0.806 1.563 Isobutylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1,3-Diaminopropane 24 18 22 22 19 21.1 2.3 24 30 N.D. N.D. N.D. 26.7 2.9 0.194 1.264 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Gly 831 956 1079 2057 1397 1264.0 438.7 961 1181 1597 2072 1455 1453.3 379.7 0.884 1.150 5786 3995 3088 898 421 2837.6 1984.8 4531 3910 6648 3359 7690 5227.5 1661.1 0.018 1.842 0.577 2.245 0.000 3.597 Acetohydroxamate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isopropanolamine 42 29 31 24 24 30.0 6.4 32 27 18 22 16 23.3 5.7 0.314 0.775 26 23 N.D. 14 9 18.0 6.7 N.D. N.D. 22 15 N.D. 18.6 3.7 0.520 1.033 0.019 0.600 0.512 0.800 Trimethylamine N-oxide 5174 4472 4957 4182 3969 4550.6 455.0 3838 5699 5433 5030 4539 4908.0 662.8 0.505 1.079 10245 6101 6199 2296 2581 5484.4 2903.2 5303 5572 1178 5077 6502 4726.3 1839.4 1.000 0.862 0.173 1.205 0.328 0.963 Hydroxyurea N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Trimethylsulfonium N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cysteamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyrimidine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Methylpyrazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Amino-1,2,4-triazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Piperidine 34 35 32 43 52 39.1 7.3 34 46 30 27 25 32.4 7.3 0.282 0.830 65 105 73 37 29 62.0 27.1 49 52 23 70 88 56.3 21.8 0.799 0.908 0.570 1.586 0.407 1.735 Piperazine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isoamylamine 11 5 N.D. N.D. 17 11.0 5.2 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1,4-Butanediamine 618 832 942 615 538 709.1 152.2 938 684 709 760 634 745.1 104.7 0.785 1.051 113 211 183 87 56 130.0 58.1 85 46 160 161 54 101.2 50.1 0.873 0.778 0.003 0.183 0.014 0.136 beta-Ala 291 249 239 249 212 248.1 25.6 170 240 190 179 201 195.9 24.2 0.099 0.789 108 161 156 86 160 134.3 31.3 110 30 49 116 80 77.1 33.6 0.177 0.574 0.007 0.541 0.004 0.394 Ala 433 413 466 744 515 514.0 120.2 377 607 399 553 404 468.3 93.4 0.205 0.911 2741 2412 1850 586 452 1608.3 934.6 2051 1573 3298 1515 4786 2644.6 1248.1 0.044 1.644 0.108 3.129 0.002 5.647 Sarcosine 455 408 599 115 95 334.5 197.5 444 90 165 73 156 185.7 133.8 0.359 0.555 659 755 637 88 59 439.6 301.5 319 195 296 397 539 349.2 114.7 0.903 0.794 0.294 1.314 0.870 1.881 3-Aminopropane-1,2-diol N.D. 8 9 N.D. 6 7.7 1.2 8 7 13 N.D. N.D. 9.3 2.5 0.776 1.209 N.D. 18 N.D. N.D. N.D. 18.1 0.0 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2.345 #DIV/0! #DIV/0! Aniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Hydroxypyridine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxymethylimidazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Methyl-2-pyrrolidone N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Aminocyclopropane-1-carboxylate 16 17 19 19 8 15.7 4.1 19 17 14 N.D. 17 16.6 1.7 0.976 1.062 28 29 N.D. N.D. 15 23.7 6.3 35 12 22 13 23 21.1 8.4 0.448 0.888 0.919 1.514 0.558 1.267 Azetidine-2-carboxylate 35 30 39 19 14 27.5 9.5 30 21 17 28 24 24.2 4.6 0.473 0.880 44 43 45 15 17 32.7 13.9 42 17 22 34 49 32.7 11.9 0.518 1.001 0.183 1.189 0.843 1.351 Acetoacetamide 1168 1359 1211 1409 1126 1254.3 110.3 1244 1272 1061 1255 505 1067.6 291.6 0.348 0.851 804 845 849 442 391 666.2 204.9 470 338 544 670 543 513.1 108.7 0.388 0.770 0.002 0.531 0.051 0.481 Betaine aldehyde 184 N.D. 87 N.D. 283 184.8 80.3 180 250 N.D. N.D. N.D. 215.0 35.3 0.726 1.164 N.D. 429 N.D. N.D. N.D. 428.5 0.0 N.D. 223 N.D. 245 N.D. 233.6 11.1 #DIV/0! 0.545 #DIV/0! 2.319 0.432 1.086 Hexylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cadaverine 94 203 181 54 55 117.6 62.7 187 102 83 132 71 114.9 41.5 0.742 0.977 N.D. 19 12 6 6 11.0 5.3 N.D. N.D. 22 18 N.D. 19.7 2.1 0.004 1.800 0.049 0.093 0.249 0.172 GABA 104 102 117 122 111 111.1 7.4 105 116 100 90 98 102.0 8.5 0.368 0.918 49 79 79 42 39 57.7 17.7 62 34 44 57 42 47.9 10.1 0.578 0.830 0.001 0.519 0.018 0.470 N,N-Dimethylglycine 1698 1612 2252 878 856 1459.0 531.2 1565 373 985 393 1084 880.0 450.9 0.245 0.603 2023 2707 2533 727 409 1679.9 940.5 1500 891 1984 1662 1758 1559.0 368.8 0.436 0.928 0.127 1.151 0.730 1.771 2-Aminobutyrate 20 22 23 34 20 24.0 5.3 18 29 37 N.D. 19 26.0 7.7 0.781 1.083 46 31 48 25 N.D. 37.5 9.8 47 33 100 N.D. 46 56.6 25.7 0.181 1.509 0.391 1.565 0.242 2.180 N-Methylalanine 22 17 23 18 18 19.8 2.6 19 15 N.D. N.D. N.D. 17.3 1.9 0.944 0.874 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Cyanopyridine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,3-Diaminopropionate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ser 323 357 455 414 303 370.2 56.7 373 335 232 296 313 309.7 46.6 0.355 0.837 1490 1559 924 331 220 904.7 560.3 1288 1269 108 751 2431 1169.5 763.7 0.312 1.293 0.434 2.444 0.069 3.776 2-Amino-2-methyl-1,3-propanediol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Diethanolamine N.D. 14 N.D. 20 14 15.8 2.8 16 N.D. N.D. N.D. N.D. 16.1 0.0 #DIV/0! 1.019 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. 14 N.D. 14.1 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.877 N-Methylaniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phenylhydrazine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Hypotaurine 526 495 434 173 101 345.8 174.5 236 162 235 105 171 181.9 49.5 0.140 0.526 103 204 152 115 176 149.9 37.5 50 88 35 57.6 22.3 0.148 0.384 0.054 0.433 0.110 0.317 2-Aminophenol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 43 N.D. N.D. 42.6 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cytosine 151 240 309 150 303 230.5 69.6 202 169 154 214 113 170.5 35.9 0.205 0.740 169 200 193 42 33 127.4 74.1 53 65 122 281 117 127.4 81.4 0.529 1.000 0.014 0.553 0.270 0.747 Histamine 17 19 24 11 30 20.4 6.4 19 11 15 4 6 11.2 5.7 0.148 0.551 44 44 129 12 25 50.5 41.1 37 11 23 30 13 22.7 9.8 0.147 0.449 0.640 2.480 0.511 2.022 Uracil 427 473 479 739 480 519.6 111.4 450 445 356 622 612 496.8 103.7 0.414 0.956 N.D. N.D. N.D. 177 413 294.9 118.1 386 163 854 264 306 394.6 240.6 0.703 1.338 0.199 0.567 0.176 0.794 Creatinine 17972 10310 11502 16790 14134 14141.6 2943.9 12273 14193 9453 10815 11171 11581.0 1586.3 0.243 0.819 10772 12639 11346 9569 5363 9937.9 2491.4 13765 6548 10212 13806 9536 10773.5 2751.3 0.440 1.084 0.003 0.703 0.258 0.930 Methimazole Dihydrouracil 99787 70633 82756 175278 75746 100840.1 38500.2 62456 128900 134053 134401 119124 115786.6 27230.1 0.831 1.148 ###### ###### 301134 ###### 75456 181709.8 84991.6 ###### ###### 127411 114529 ###### 151950.3 36955.9 0.814 0.836 0.168 1.802 0.317 1.312 Muscimol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! beta-Cyanoalanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pro 252 196 261 433 237 275.6 81.7 194 213 173 227 155 192.6 26.1 0.038 0.699 2680 2520 1938 276 55 1493.9 1114.3 933 500 1261 798 3183 1335.0 955.8 0.839 0.894 0.123 5.420 0.015 6.931 Guanidoacetate 806 1130 1527 1128 1412 1200.6 251.9 994 1298 561 549 660 812.6 291.3 0.170 0.677 172 460 202 112 391 267.3 134.2 315 73 91 107 112 139.6 88.7 0.225 0.522 0.003 0.223 0.021 0.172 Betaine 6939 1901 4600 740 622 2960.3 2451.0 2441 621 878 438 527 981.0 744.8 0.189 0.331 15091 8544 9948 327 437 6869.4 5728.3 2144 1352 3298 2311 7191 3259.3 2061.2 0.415 0.474 0.925 2.321 0.291 3.322 5-Aminovalerate 155 119 89 193 463 203.8 134.2 89 368 97 124 87 153.1 108.3 0.398 0.751 132 85 107 24 14 72.2 46.3 37 24 23 104 59 49.3 30.1 0.803 0.682 0.070 0.355 0.071 0.322 Val 134 150 212 190 136 164.4 31.1 133 138 125 113 117 125.2 9.5 0.157 0.762 272 285 229 247 66 219.9 79.3 324 230 381 193 395 304.6 80.5 0.077 1.385 0.397 1.337 0.020 2.432 Benzimidazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,4-Diaminobutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Alpha-Methylserine 78 52 56 36 52 54.6 13.5 45 67 45 45 45 49.3 8.8 0.281 0.902 87 95 130 35 40 77.3 35.5 67 30 36 73 62 53.4 17.1 0.253 0.691 0.231 1.415 0.471 1.083 Thr 337 474 572 563 363 461.7 98.0 439 394 309 382 318 368.4 48.7 0.294 0.798 1899 2368 1227 445 410 1269.9 777.5 2010 1556 2237 1147 3218 2033.6 701.2 0.016 1.601 0.227 2.750 0.000 5.521 Homoserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Amino-3-hydroxybutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Purine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Benzamidine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cys N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Benzamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2-Amino-2-(hydroxymethyl)-1,3-propanediol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phenethylamine N.D. 3 N.D. N.D. N.D. 3.1 0.0 N.D. 6 N.D. N.D. N.D. 5.7 0.0 #DIV/0! 1.839 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,6-Dimethylaniline alpha-Methylbenzylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N,N-Dimethylaniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,4-Dimethylaniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isonicotinamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Picolinamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Nicotinamide 50 48 75 64 36 54.6 13.5 59 95 71 115 81 84.0 19.6 0.267 1.538 N.D. 33 47 42 27 37.3 8.1 N.D. 11 N.D. 14 N.D. 12.5 1.7 0.166 0.336 0.038 0.683 0.006 0.149 3-Chloroalanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Taurine 14067 7307 6964 5180 4569 7617.4 3386.7 3652 7647 8181 3042 6744 5853.2 2106.2 0.174 0.768 4715 8129 6536 2246 10069 6339.3 2703.4 1357 188 373 4369 1464 1550.2 1498.9 0.119 0.245 0.243 0.832 0.004 0.265 5-Methylcytosine 37 50 46 25 50 41.7 9.6 28 22 34 26 24 26.9 4.1 0.077 0.645 48 61 54 14 26 40.4 17.7 19 11 28 53 33 28.7 14.4 0.579 0.710 0.063 0.969 0.617 1.068 1-Methylhistamine 174 234 428 116 105 211.5 117.5 252 154 125 176 120 165.4 47.8 0.468 0.782 14 22 57 13 11 23.6 17.3 17 4 10 17 5 10.6 5.3 0.087 0.448 0.020 0.112 0.031 0.064 Imidazole-4-acetate 40 69 90 41 56 59.1 18.7 70 60 47 55 30 52.4 13.5 0.499 0.887 28 54 43 N.D. 39 41.0 9.2 102 N.D. 45 24 N.D. 57.2 32.8 0.467 1.396 0.077 0.693 0.557 1.091 Melamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Oxoproline 755 502 483 550 971 652.1 186.6 394 735 396 417 374 463.3 136.4 0.120 0.710 1219 915 847 316 638 786.8 300.2 472 500 641 726 750 617.9 113.9 0.547 0.785 0.309 1.207 0.840 1.334 Isoquinoline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Quinoline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Amino-1-cyclopentanecarboxylate N.D. N.D. 15 N.D. N.D. 14.9 0.0 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pipecolate 687 617 781 685 554 664.8 76.1 805 1010 496 529 469 661.6 211.8 0.744 0.995 694 680 749 256 448 565.6 185.8 820 378 542 877 851 693.6 198.5 0.232 1.226 0.018 0.851 0.441 1.048 Metformin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Octylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylputrescine 46 51 44 43 30 42.8 7.1 50 63 48 100 68 65.8 18.8 0.409 1.536 29 28 36 N.D. 15 26.9 7.3 N.D. N.D. 15 14 N.D. 14.8 0.7 0.140 0.548 0.019 0.629 0.022 0.224 Agmatine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Hydroxyproline 288 383 602 276 190 347.7 141.1 382 131 170 192 185 211.8 87.7 0.287 0.609 1493 1421 1393 186 168 932.1 617.4 758 522 659 639 1438 803.1 326.3 0.788 0.862 0.561 2.681 0.025 3.792 5-Aminolevulinate beta-Guanidinopropionate 25 20 19 31 31 25.4 5.4 21 20 21 17 14 18.7 2.6 0.147 0.736 18 19 19 4 13 14.6 5.8 19 6 15 12 16 13.8 4.3 0.949 0.944 0.004 0.574 0.092 0.737 Creatine 197 158 152 338 334 236.0 83.3 131 248 96 155 181 162.3 51.3 0.107 0.688 46 269 52 117 11163 2329.3 4417.4 1380 30 97 69 82 331.6 524.8 0.368 0.142 0.375 9.868 0.748 2.043 6-Aminohexanoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ile 39 60 75 72 45 58.1 14.3 49 37 23 37 37 36.6 8.3 0.143 0.630 88 122 68 91 14 76.7 36.0 95 89 109 67 146 101.4 26.3 0.144 1.321 0.421 1.321 0.030 2.770 Leu 71 91 143 124 68 99.6 29.7 94 75 31 57 93 69.9 23.8 0.278 0.701 222 316 178 183 22 184.2 95.0 354 364 485 148 498 369.8 125.7 0.021 2.008 0.891 1.849 0.005 5.294 Bis(3-aminopropyl)amine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Gly-Gly N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Asn 146 186 216 153 128 165.8 31.3 176 124 123 134 122 135.7 20.6 0.358 0.818 238 423 203 104 90 212.0 119.8 361 291 66 250 610 315.6 176.9 0.126 1.489 0.195 1.279 0.224 2.326 5-Aminoindole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Aminoindole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ornithine 114 64 72 71 135 90.9 28.0 55 116 48 57 60 67.1 24.5 0.155 0.738 220 138 177 62 35 126.5 69.3 111 92 154 109 156 124.4 25.7 0.477 0.983 0.347 1.391 0.130 1.853 Asp 81 75 111 95 65 85.6 16.2 70 105 88 95 85 88.5 11.5 0.479 1.034 105 103 160 58 140 113.4 35.2 128 51 106 101 100 96.9 25.3 0.591 0.855 0.713 1.324 0.369 1.095 2-Aminobenzimidazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Hydroxyindole 2278 1515 1418 3300 1704 2043.0 695.6 1682 1605 2585 2369 2174 2083.0 382.5 0.518 1.020 N.D. N.D. 4164 1540 1071 2258.2 1360.9 N.D. N.D. 2570 1916 3112 2532.5 489.1 0.104 1.121 0.040 1.105 0.676 1.216 Homocysteine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Adenine 5 24 27 N.D. 5 15.3 10.3 15 6 N.D. 15 12 12.0 3.6 0.438 0.784 N.D. N.D. N.D. N.D. 5 5.1 0.0 N.D. N.D. N.D. 10 N.D. 10.4 0.0 #DIV/0! 2.045 #DIV/0! 0.331 #DIV/0! 0.864 Acetanilide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Hypoxanthine 53 N.D. N.D. N.D. 30 41.5 11.9 27 38 N.D. 48 N.D. 37.6 8.5 0.352 0.906 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Methylnicotinamide 310 206 383 271 164 266.8 77.1 374 511 403 503 2429 844.4 794.2 0.209 3.165 48 43 150 73 71 77.0 38.6 42 20 31 48 661 160.2 250.4 0.586 2.079 0.003 0.289 0.084 0.190 p-Aminobenzoate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Anthranilate 18 8 8 19 N.D. 13.2 5.5 10 20 N.D. N.D. 8 12.7 5.4 0.864 0.968 N.D. 14 N.D. N.D. N.D. 13.5 0.0 13 N.D. N.D. 17 N.D. 15.1 1.7 #DIV/0! 1.114 #DIV/0! 1.028 0.668 1.184 Isoniazid N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tyramine 34 22 23 26 19 24.9 5.0 23 28 15 22 20 21.5 4.1 0.329 0.862 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phenylethanolamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Urocanate 56 35 39 63 50 48.6 10.6 40 62 38 55 50 48.9 9.1 0.481 1.007 N.D. N.D. N.D. 16 29 22.6 6.3 N.D. N.D. N.D. 35 N.D. 35.5 0.0 #DIV/0! 1.568 0.068 0.466 #DIV/0! 0.726 6-Hydroxynicotinate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Hexamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Histidinol 2 N.D. N.D. N.D. N.D. 2.0 0.0 N.D. 2 N.D. N.D. N.D. 1.9 0.0 #DIV/0! 0.926 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. 2 N.D. 2.0 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.039 Ectoine 309 426 566 88 82 294.3 189.2 488 267 235 42 34 213.2 167.6 0.590 0.724 302 416 428 33 74 250.6 167.2 370 149 236 111 116 196.6 97.6 0.940 0.784 0.133 0.852 0.468 0.922 4-Methyl-5-thiazoleethanol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! gamma-Guanidinobutyrate 1125 992 1443 849 702 1022.3 253.4 1166 1206 1162 843 874 1050.1 157.5 0.678 1.027 527 1231 608 451 356 634.5 309.8 1052 273 544 795 427 618.1 275.8 0.779 0.974 0.013 0.621 0.058 0.589 Acetylcholine 4 3 2 4 2 2.8 0.7 2 3 3 4 2 2.8 0.7 0.326 0.989 5 6 7 2 2 4.4 2.3 6 2 4 2 3 3.6 1.5 0.902 0.819 0.388 1.534 0.988 1.270 gamma-Butyrobetaine 30 37 36 56 86 49.2 20.6 37 15 30 15 13 21.7 9.7 0.110 0.442 29 35 33 35 34 33.0 2.3 38 7 127 31 19 44.5 42.5 0.688 1.349 0.094 0.670 0.645 2.046 Spermidine 130 359 436 230 221 275.1 108.6 303 301 134 192 255 237.1 65.7 0.505 0.862 107 194 213 211 8 146.8 79.4 67 53 73 156 30 75.8 42.6 0.410 0.516 0.044 0.534 0.043 0.320 Gln 84 311 363 409 177 269.0 120.7 194 201 133 267 283 215.6 54.2 0.324 0.802 2570 4775 1701 862 191 2019.9 1592.5 4367 3590 5309 1407 5877 4109.9 1562.4 0.018 2.035 0.050 7.510 0.001 19.061 5,6-Dimethylbenzimidazol N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Lys 228 315 390 365 188 297.5 77.8 315 366 154 195 151 236.2 88.2 0.432 0.794 245 392 323 376 64 280.0 119.5 437 327 487 255 498 401.0 94.9 0.100 1.432 0.107 0.941 0.622 1.697 Carbachol 7 5 3 N.D. 4 4.7 1.7 3 5 7 7 N.D. 5.5 1.8 0.307 1.164 14 9 8 6 N.D. 9.2 3.1 12 3 8 5 N.D. 6.7 3.4 0.704 0.732 0.796 1.952 0.858 1.228 Trientine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Isatin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. 75 N.D. 75.3 0.0 #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 87 N.D. N.D. 86.7 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.151 Glu Albizziine 587 470 462 718 677 582.8 104.4 423 433 415 578 538 477.6 67.2 0.117 0.819 796 823 515 240 577 590.3 212.1 1202 571 2384 660 757 1115.0 670.8 0.181 1.889 0.126 1.013 0.198 2.335 O-Acetylserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Nornicotine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! threo-beta-Hydroxyaspartate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Met 45 61 68 57 40 54.4 10.3 51 43 30 33 31 37.7 8.2 0.210 0.693 96 150 168 53 7 95.0 60.1 142 91 177 74 207 138.2 50.4 0.025 1.455 0.565 1.745 0.009 3.663 3-Methyladenine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Methylaminopurine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Triethanolamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. 16 N.D. 15.7 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,6-Diethylaniline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Guanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Amantadine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Mesalamine N.D. N.D. N.D. N.D. 4 3.5 0.0 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 6 5 N.D. 5.3 0.3 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Hydroxyanthranilate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Dopamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-(beta-Acetylaminoetyl)imidazole 44 65 103 53 62 65.4 20.3 67 58 51 59 55 58.0 5.5 0.431 0.888 104 82 125 40 117 93.8 30.8 62 28 43 65 43 48.4 13.8 0.165 0.516 0.817 1.435 0.196 0.834 Pseudopelletierine 3 N.D. N.D. N.D. N.D. 3.3 0.0 2 N.D. N.D. 2 N.D. 1.8 0.1 #DIV/0! 0.557 5 5 N.D. N.D. N.D. 5.0 0.3 4 N.D. 3 N.D. N.D. 3.3 0.5 0.157 0.659 #DIV/0! 1.534 0.969 1.815 His 97 112 142 142 86 116.1 23.0 109 100 79 87 82 91.5 11.3 0.271 0.788 471 590 341 106 46 311.1 208.2 539 489 1097 225 817 633.4 298.5 0.043 2.036 0.380 2.680 0.010 6.925 beta-Imidazolelactate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Indoleacetonitrile N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ibotenate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Allantoin 54496 47408 46394 75726 54858 55776.5 10569.1 50205 71094 44284 61955 55501 56607.4 9300.9 0.570 1.015 59837 64775 62239 48426 23658 51786.9 15134.7 65106 39327 47016 52652 52729 51366.0 8439.8 0.553 0.992 0.006 0.928 0.140 0.907 Indole-3-acetaldehyde N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Betonicine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pargyline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ala-Ala 31 26 25 47 32.1 9.1 19 19 20 24 N.D. 20.6 2.1 0.037 0.643 44 29 29 N.D. 17 30.0 9.6 N.D. N.D. 17 22 N.D. 19.3 2.4 0.621 0.644 0.028 0.935 0.555 0.936 Tolazoline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tryptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! alpha-Aminoadipate N.D. 5 N.D. N.D. N.D. 5.1 0.0 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 63 57 53 N.D. 23 48.9 15.5 121 43 60 34 85 68.6 31.5 0.079 1.401 #DIV/0! 9.610 #DIV/0! #DIV/0! N-Methylglutamate N.D. N.D. 8 N.D. N.D. 7.8 0.0 9 21 10 N.D. 42 20.7 13.4 #DIV/0! 2.658 19 33 102 N.D. N.D. 51.5 36.2 183 57 N.D. 16 N.D. 85.2 71.4 0.271 1.653 #DIV/0! 6.634 0.151 4.125 Indole-3-ethanol 75 51 51 80 N.D. 64.3 13.4 51 N.D. N.D. N.D. 47 48.9 1.7 0.841 0.760 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 35 N.D. N.D. 71 53.1 18.1 #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.382 1.086 Carnitine 296 254 196 40 29 163.2 109.9 108 36 63 42 34 56.5 27.7 0.121 0.346 199 187 142 38 175 148.3 58.2 423 58 239 76 197 198.5 131.9 0.640 1.338 0.278 0.909 0.185 3.511 2-Deoxystreptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Hydroxylysine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 129 N.D. N.D. 129.1 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Nicotine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Lumazine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Methionine sulfoxide 26 118 78 52 36 62.0 33.1 86 25 28 N.D. 29 42.1 25.2 0.608 0.679 77 109 214 N.D. N.D. 133.1 58.9 63 36 73 50 107 65.9 24.0 0.177 0.495 0.737 2.148 0.811 1.565 7-Methylguanine 219 181 175 274 228 215.4 35.6 190 275 175 264 253 231.2 40.8 0.670 1.073 138 166 140 154 89 137.2 26.2 124 59 79 138 92 98.3 28.8 0.251 0.717 0.002 0.637 0.004 0.425 3-Methylguanine N.D. 10 19 N.D. 10 12.8 4.0 10 12 N.D. 22 22 16.6 5.6 0.711 1.293 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phe 69 85 104 140 91 97.9 24.1 79 70 53 71 61 66.8 9.0 0.105 0.682 122 169 129 103 32 111.0 45.1 145 126 195 97 212 155.2 42.8 0.034 1.398 0.067 1.134 0.063 2.324 Pyridoxal 49 38 88 17 8 40.2 28.0 62 40 37 33 40 42.4 10.0 0.877 1.054 42 20 55 N.D. 26 35.6 13.7 30 13 28 59 71 40.3 21.3 0.586 1.132 0.273 0.885 0.370 0.951 Synephrine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridoxamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridoxine 18 8 17 N.D. N.D. 14.0 4.5 12 7 N.D. N.D. N.D. 9.6 2.7 0.609 0.690 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. 6 N.D. N.D. 5.6 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 0.585 Noradrenaline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Methylhistidine 99 147 252 149 118 153.0 52.9 134 70 106 57 45 82.5 33.0 0.151 0.539 1156 1080 1372 270 963 968.2 373.8 1753 870 1442 680 1257 1200.3 386.5 0.356 1.240 0.021 6.330 0.000 14.553 Diphenylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Deisopropylatrazine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Indole-3-acetamide 271 182 179 289 210 226.2 45.8 150 227 200 307 273 231.2 55.1 0.289 1.022 250 330 345 184 88 239.4 95.5 166 126 173 247 319 206.2 68.6 0.946 0.861 0.011 1.058 0.072 0.892 N-Acetylornithine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-gamma-Ethylglutamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 61 83 68 13 11 47.2 29.4 84 47 81 35 89 67.3 21.9 0.024 1.428 #DIV/0! #DIV/0! #DIV/0! #DIV/0! Arg 140 164 231 151 106 158.5 41.1 137 158 88 111 109 120.7 24.4 0.245 0.761 222 318 264 136 57 199.4 92.7 263 195 315 160 279 242.2 56.5 0.043 1.215 0.172 1.258 0.159 2.007 Gramine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-omega-Methyltryptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Guanidinosuccinate 20 23 18 21 18 20.1 1.9 17 15 12 16 15 14.8 1.6 0.163 0.738 54 50 33 48 69 50.9 11.4 162 34 63 79 57 79.1 43.9 0.469 1.555 0.211 2.534 0.012 5.340 Indole-3-acetate 814 649 668 927 684 748.7 106.4 674 947 660 843 674 759.7 115.4 0.521 1.015 830 915 873 512 401 706.3 208.6 817 464 587 629 644 628.1 113.7 0.821 0.889 0.006 0.943 0.075 0.827 2-Guanidinobenzimidazole N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Citrulline 27 27 30 42 41 33.2 6.7 24 47 27 37 30 33.0 8.1 0.385 0.992 1086 1413 622 213 64 679.5 510.6 869 1445 1451 311 1628 1140.7 487.7 0.095 1.679 0.026 20.440 0.005 34.608 Canavanine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Serotonin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Alliin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Cys-Gly N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Xanthopterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucosamine 117 98 117 128 113 114.5 9.5 114 93 69 90 100 93.0 14.6 0.294 0.812 31 33 37 17 35 30.6 7.3 32 N.D. N.D. 29 N.D. 30.4 1.3 0.964 0.992 0.000 0.267 0.157 0.327 Mannosamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Fusarate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Methionine sulfoximine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! o-Phenanthroline N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tyr 31 37 46 49 36 39.7 6.8 36 42 29 33 23 32.6 6.4 0.272 0.822 74 86 65 34 13 54.4 26.9 91 65 89 49 105 79.8 20.1 0.008 1.468 0.215 1.371 0.024 2.447 beta-Tyr 21 16 20 N.D. 11 17.1 3.8 18 16 16 N.D. N.D. 17.0 0.8 0.643 0.997 28 35 50 11 31.2 14.1 23 13 13 21 19 17.7 4.4 0.079 0.567 0.159 1.830 0.279 1.040 Harman N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Eﬂornithine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phosphorylcholine 361 306 270 371 304 322.3 38.2 281 355 257 290 N.D. 295.7 36.2 0.438 0.917 357 418 292 263 170 300.0 84.3 308 168 206 343 135 232.0 80.4 0.519 0.773 0.019 0.931 0.152 0.785 Epinephrine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-alpha,N-alpha-Dimethylhistidine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Desehtylatrazine N.D. 95 N.D. N.D. N.D. 95.2 0.0 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 164 N.D. N.D. 122 N.D. 142.9 20.7 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1.501 #DIV/0! #DIV/0! N8-Acetylspermidine 19 20 19 25 28 22.2 3.7 22 28 13 25 24 22.2 5.3 0.609 1.003 9 7 8 8 4 7.4 1.8 7 3 6 6 4 5.0 1.4 0.160 0.670 0.001 0.334 0.005 0.223 Gly-Leu 126 139 126 114 71 115.2 23.5 143 146 80 112 87 113.6 27.4 0.711 0.986 58 69 62 29 19 47.8 19.8 46 23 33 63 27 38.4 14.5 0.897 0.804 0.005 0.414 0.037 0.338 N-epsilon-Acetyllysine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 16 N.D. N.D. N.D. 16.3 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Homoarginine N6-N6-N6-Trimethyllysine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Quisqualate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Castanospermine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2,6-Diaminoheptanedioate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! 10 N.D. N.D. N.D. N.D. 10.2 0.0 #DIV/0! #DIV/0! 28 N.D. N.D. N.D. 15 21.4 6.5 N.D. 23 N.D. N.D. N.D. 22.5 0.0 #DIV/0! 1.054 #DIV/0! #DIV/0! #DIV/0! 2.207 5-Methoxytryptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Hydroxy-3-indoleaceacetate 366 208 259 395 312 308.1 68.2 276 332 312 281 226 285.5 35.9 0.382 0.927 495 300 455 207 191 329.7 124.9 251 140 267 392 274 264.7 80.2 0.645 0.803 0.044 1.070 0.270 0.927 Diethyl-2-phenylacetamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! 14 N.D. N.D. N.D. N.D. 14.0 0.0 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glucosaminate 11 N.D. 8 N.D. N.D. 9.5 1.3 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Tyrosine methyl ester N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! DOPA N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylhistidine 136 113 62 98 76 97.1 26.2 133 86 52 123 63 91.4 32.0 0.724 0.941 38 48 31 32 11 31.7 12.1 31 11 13 37 16 21.6 10.4 0.405 0.681 0.005 0.327 0.049 0.237 Hydroxyartazine 3 1 N.D. N.D. N.D. 2.3 1.2 1 2 N.D. N.D. N.D. 1.5 0.2 0.531 0.672 5 N.D. N.D. N.D. N.D. 4.8 0.0 4 1 N.D. N.D. N.D. 2.9 1.6 #DIV/0! 0.601 #DIV/0! 2.101 0.916 1.881 Tacrine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Arginine ethyl ester N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Spermine 37 57 85 13 48.0 26.5 51 26 8 10 17 22.3 15.9 0.202 0.466 37 40 33 20 N.D. 32.6 7.8 11 N.D. N.D. 40 N.D. 25.5 14.2 0.857 0.783 0.077 0.680 0.815 1.143 Tryptophanamide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! o-Acetylcarnitine 10 10 7 11 8 9.1 1.5 7 6 6 5 5 5.9 0.5 0.075 0.651 37 40 24 11 9 24.3 12.8 107 25 21 15 45 42.4 33.6 0.199 1.749 0.170 2.658 0.040 7.144 Trp 20 22 29 31 24 24.9 4.2 21 22 17 19 21 20.1 1.9 0.192 0.807 55 85 43 50 13 49.0 23.0 95 62 104 38 84 76.6 23.9 0.046 1.562 0.572 1.971 0.004 3.816 5-Methoxy-3-indoleaceate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Kynurenine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Phosphocreatine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Desthiobiotin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 6-Aminopenicillanate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! beta-Ala-Lys N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Methoxy-N,N-dimethyltryptamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! o-Succinylhomoserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! trans-Zeatin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Hydroxytryptophan N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylglucosylamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-Acetylglucosamine 378 431 399 576 503 457.4 73.0 426 592 382 566 559 504.9 84.4 0.778 1.104 186 281 243 170 145 205.2 49.6 175 111 149 234 221 178.1 45.6 0.664 0.868 0.001 0.449 0.002 0.353 Cystathionine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. 111 64 N.D. 82 85.5 19.3 #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Hydroxykynurenine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Carnosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2'-Deoxycytidine 411 549 649 943 406 591.5 197.9 642 247 239 445 405 395.7 148.1 0.323 0.669 147 145 58 148 56 110.9 44.1 157 56 N.D. 60 199 117.9 61.9 0.885 1.063 0.000 0.188 0.114 0.298 gamma-Glu-2-aminobutyrate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Melatonin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Sepiapterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 7,8-Dihydrobiopterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Anserine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Homocarnosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Methyl-2'-deoxycytidine 158 170 207 241 194 194.0 29.1 213 123 100 147 126 141.9 38.7 0.319 0.732 66 46 29 N.D. N.D. 46.9 15.2 48 14 N.D. N.D. 29 30.2 13.9 0.593 0.643 0.002 0.242 0.119 0.213 Thymidine Diphenylcarbazide 553 418 395 857 499 544.3 166.4 413 577 579 636 501 541.3 77.1 0.319 0.995 811 747 930 497 312 659.4 224.1 653 341 533 683 770 595.9 148.4 0.994 0.904 0.029 1.212 0.369 1.101 Cytidine N.D. N.D. N.D. 205 131 168.1 37.3 111 N.D. N.D. N.D. 153 131.8 20.8 0.660 0.784 N.D. N.D. N.D. 114 69 91.6 22.6 122 89 21 N.D. N.D. 77.1 42.0 0.252 0.842 0.352 0.545 0.074 0.585 Uridine 2195 2109 1944 3348 2479 2414.9 497.6 2123 2875 2030 2742 2628 2479.5 339.6 0.568 1.027 2231 2608 2478 1671 1152 2028.0 542.9 2422 1627 1421 2288 2436 2038.8 428.6 0.530 1.005 0.003 0.840 0.069 0.822 N1-Acetylspermine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Octopine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Pyridoxamine 5'-phosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4-Aminophenylsulfone N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! gamma-Glu-cys N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Muramate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2'-Deoxyadenosine 5'-Deoxyadenosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Purine riboside N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 7,8-Dihydroneopterin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glycerophosphorylcholine 114 100 100 315 244 174.5 88.8 118 116 57 72 135 99.5 29.8 0.129 0.570 56 N.D. N.D. 55 30 47.1 12.3 73 58 N.D. N.D. N.D. 65.6 7.7 0.466 1.394 0.027 0.270 0.346 0.660 Thiamine 597 1683 1247 461 411 879.9 501.0 1095 528 428 294 200 509.0 313.4 0.366 0.579 441 628 1342 46 72 506.0 472.8 257 115 228 386 434 284.0 114.3 0.622 0.561 0.085 0.575 0.253 0.558 N6-Methyl-2'-deoxyadenosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 4,4'-Methylene bis(o-chloroaniline) N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 2'-Deoxyguanosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Adenosine N.D. 5 5 N.D. N.D. 5.2 0.0 5 N.D. N.D. N.D. 12 8.4 3.7 0.316 1.623 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Homocystine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Inosine 56 N.D. N.D. N.D. 32 44.0 12.0 32 47 N.D. 50 41 42.3 7.0 0.330 0.962 N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glu-Glu N.D. 13 16 N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 1-Methyladenosine 178 128 106 171 136 144.0 26.9 130 190 80 144 179 144.4 39.1 0.591 1.003 60 64 58 62 26 53.9 14.2 35 30 51 37 38.1 8.0 0.366 0.708 0.001 0.374 0.012 0.264 Guanosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Xanthosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Ophthalmate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! 17 N.D. N.D. N.D. N.D. 16.6 0.0 #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Methylthioadenosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Scopolamine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glutathione(ox) N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Z-Gly-Pro N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! N-alpha-Benzenolarginine ethylester N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3-Iodotyrosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Glutathione(red) N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Aminoimidazole-4-carboxamide ribotide N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Thiamine monophosphate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Riboﬂavin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! S-Lactoylglutathione N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! S-Adenosylhomocysteine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! S-Adenosylmethionine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! 69 69 78 20 27 52.7 24.0 70 40 N.D. 57 45 52.8 11.5 0.372 1.003 #DIV/0! #DIV/0! #DIV/0! #DIV/0! Leu-Leu-Tyr N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Leupeptin N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3,5-Diiodo-tyrosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 5-Methyltetrahydrofolate N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! Psychosine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! 3,3',5-Triiodothyronine N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! N.D. N.D. N.D. N.D. N.D. #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0! #DIV/0!