Metabolite standards detected by UHPLC-HRMS
#ID NAME 1 - 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 2 - 10-HYDROXYDECANOATE 3 - 1-HYDROXY-2-NAPHTHOATE 4 - 2,4-DIHYDROXYPTERIDINE 5 - 2,6-DIHYDROXYPYRIDINE 6 - 2-Sulfoaniline 7 - 3-AMINO-4-HYDROXYBENZOATE 8 - 3-AMINO-5-HYDROXYBENZOATE 9 - 3-Hydroxyphenyl acetate 10 - 3-METHYL-2-OXINDOLE 11 - 3-NITRO-L-TYROSINE 12 - 4-QUINOLINECARBOXYLATE 13 - 4-QUINOLINECARBOXYLIC ACID 14 - ANILINE-2-SULFONATE (2-SULFOANILINE) 15 - BIS(2-ETHYLHEXYL)PHTHALATE 16 - CORTISOL 21-ACETATE 17 - delta-Valerolactone 18 - DEOXYCORTICOSTERONE ACETATE 19 - DIDECANOYL-GLYCEROPHOSPHOCHOLINE 20 - D-MANNOSAMINE 21 - ETHYL 3-INDOLEACETATE 22 - GALACTOSAMINE 23 - GLUCOSAMINATE 24 - Hydrocortisone acetate 25 - Hydrocortisone acetate (CORTISOL 21-ACETATE) 26- LUMICHROME 27 - Methyl vallinic acid 28 - N6-(DELTA2-ISOPENTENYL)-ADENINE 29 - N-ACETYLPROLINE 30 - N-METHYLGLUTAMATE 31- PALATINOSE 32 - S-HEXYL-GLUTATHIONE 33 - SN-GLYCERO-3-PHOSPHOCHOLINE 34 - URACIL 5-CARBOXYLATE 35 HMDB0000001 1-METHYL-L-HISTIDINE 36 HMDB0000012 DEOXYURIDINE 37 HMDB0000014 DEOXYCYTIDINE 38 HMDB0000015 CORTEXOLONE 39 HMDB0000017 4-pyridoxic acid 40 HMDB0000020 p-hydroxyphenylacetic acid 41 HMDB0000022 3-METHOXYTYRAMINE 42 HMDB0000026 ureidopropionic acid 43 HMDB0000030 BIOTIN 44 HMDB0000033 CARNOSINE 45 HMDB0000034 ADENINE 46 HMDB0000036 Taurocholic acid (TCA) 47 HMDB0000038 DIHYDROBIOPTERIN 48 HMDB0000043 BETAINE 49 HMDB0000045 ADENOSINE MONOPHOSPHATE (AMP)
Inselspital Printed on 30.05.2018 University Institute of Clinical Chemistry Page 1/9 Bern, Switzerland Metabolite standards detected by UHPLC-HRMS
#ID NAME 50 HMDB0000048 MELIBIOSE 51 HMDB0000050 ADENOSINE 52 HMDB0000052 Argininosuccinic acid 53 HMDB0000053 Androstenedione 54 HMDB0000058 CYCLIC AMP 55 HMDB0000062 L-CARNITINE 56 HMDB0000063 CORTISOL 57 HMDB0000064 CREATINE 58 HMDB0000068 EPINEPHRINE 59 HMDB0000070 pipecolic acid 60 HMDB0000073 DOPAMINE 61 HMDB0000076 DIHYDROURACIL 62 HMDB0000085 DEOXYGUANOSINE 63 HMDB0000089 CYTIDINE 64 HMDB0000094 Citric acid 65 HMDB0000095 CYTIDINE MONOPHOSPHATE 66 HMDB0000099 L-CYSTATHIONINE 67 HMDB0000101 DEOXYADENOSINE 68 HMDB0000107 GALACTITOL 69 HMDB0000112 gamma-aminobutyric acid 70 HMDB0000118 Homovanillic acid 71 HMDB0000121 Folic acid 72 HMDB0000122 D-Glucose 73 HMDB0000125 GLUTATHIONE 74 HMDB0000126 GLYCEROL 3-PHOSPHATE 75 HMDB0000127 D-Glucuronic acid 76 HMDB0000128 Guanidoacetic acid 77 HMDB0000130 homogentisic acid 78 HMDB0000132 GUANINE 79 HMDB0000133 GUANOSINE 80 HMDB0000134 fumaric acid 81 HMDB0000138 Glycocholic acid (GCA) 82 HMDB0000143 D-GALACTOSE 83 HMDB0000148 L-Glutamic acid 84 HMDB0000150 Gluconolactone 85 HMDB0000151 beta-estradiol 86 HMDB0000152 Gentisic acid 87 HMDB0000156 L-Malic acid 88 HMDB0000157 Hypoxanthine 89 HMDB0000158 L-TYROSINE 90 HMDB0000159 L-PHENYLALANINE 91 HMDB0000162 L-Proline 92 HMDB0000163 D-MALTOSE 93 HMDB0000167 L-THREONINE 94 HMDB0000168 L-ASPARAGINE 95 HMDB0000169 D-Mannose 96 HMDB0000172 L-ISOLEUCINE 97 HMDB0000175 Inosinic acid 98 HMDB0000176 maleic acid
Inselspital Printed on 30.05.2018 University Institute of Clinical Chemistry Page 2/9 Bern, Switzerland Metabolite standards detected by UHPLC-HRMS
#ID NAME 99 HMDB0000177 L-HISTIDINE 100 HMDB0000181 L-DOPA 101 HMDB0000182 L-Lysine 102 HMDB0000186 Alpha-LACTOSE 103 HMDB0000191 L-Aspartic acid 104 HMDB0000192 L-CYSTINE 105 HMDB0000194 ANSERINE 106 HMDB0000195 INOSINE 107 HMDB0000197 Indoleacetic acid 108 HMDB0000201 L-Acetylcarnitine (C2) 109 HMDB0000202 methylmalonic acid 110 HMDB0000207 Oleic acid 111 HMDB0000208 Oxoglutaric acid 112 HMDB0000210 PANTOTHENIC ACID 113 HMDB0000211 MYOINOSITOL 114 HMDB0000212 N-ACETYLGALACTOSAMINE 115 HMDB0000215 N-ACETYL-D-GLUCOSAMINE 116 HMDB0000216 norepinephrine (NORADRENALINE) 117 HMDB0000220 Palmitic acid 118 HMDB0000222 L-PALMITOYLCARNITINE (C16) 119 HMDB0000226 orotic acid 120 HMDB0000227 mevalonic acid 121 HMDB0000229 Nicotinamide ribotide 122 HMDB0000230 N-Acetylneuraminic acid 123 HMDB0000234 Testosterone 124 HMDB0000239 PYRIDOXINE 125 HMDB0000244 RIBOFLAVIN 126 HMDB0000247 SORBITOL 127 HMDB0000248 THYROXINE 128 HMDB0000251 TAURINE 129 HMDB0000252 Sphingosine 130 HMDB0000254 succinic acid 131 HMDB0000258 SUCROSE 132 HMDB0000262 Thymine 133 HMDB0000265 LIOTHYRONINE 134 HMDB0000267 pyroglutamic acid 135 HMDB0000269 SPHINGANINE 136 HMDB0000271 SARCOSINE 137 HMDB0000273 THYMIDINE 138 HMDB0000283 D-RIBOSE 139 HMDB0000286 URIDINE DIPHOSPHATE GLUCOSE 140 HMDB0000288 URIDINE 5'-MONOPHOSPHATE 141 HMDB0000289 Uric acid 142 HMDB0000290 URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE 143 HMDB0000291 Vanillylmandelic acid 144 HMDB0000292 XANTHINE 145 HMDB0000296 URIDINE 146 HMDB0000299 XANTHOSINE 147 HMDB0000300 URACIL
Inselspital Printed on 30.05.2018 University Institute of Clinical Chemistry Page 3/9 Bern, Switzerland Metabolite standards detected by UHPLC-HRMS
#ID NAME 148 HMDB0000301 urocanic acid 149 HMDB0000303 TRYPTAMINE 150 HMDB0000304 URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE 151 HMDB0000306 TYRAMINE 152 HMDB0000310 Methylacetoacetic acid 153 HMDB0000318 3,4-DIHYDROXYPHENYLGLYCOL 154 HMDB0000355 3-Hydroxymethylglutaric acid 155 HMDB0000397 2-Pyrocatechuic acid 156 HMDB0000418 18-Hydroxycortisol 157 HMDB0000422 2-METHYLGLUTARIC ACID 158 HMDB0000426 Citramalic acid 159 HMDB0000446 N-ALPHA-ACETYLLYSINE 160 HMDB0000448 adipic acid 161 HMDB0000450 5-HYDROXYLYSINE 162 HMDB0000462 ALLANTOIN 163 HMDB0000469 5-HYDROXYMETHYLURACIL 164 HMDB0000472 5-Hydroxy-L-tryptophan 165 HMDB0000479 3-Methyl-L-histidine 166 HMDB0000482 Caprylic acid 167 HMDB0000491 3-methyl-2-oxovaleric acid 168 HMDB0000497 5,6-Dihydrouridine 169 HMDB0000500 4-hydroxybenzoic acid 170 HMDB0000508 RIBITOL 171 HMDB0000510 aminoadipic acid 172 HMDB0000512 N-Acetyl-L-phenylalanine 173 HMDB0000517 L-ARGININE 174 HMDB0000518 chenodeoxycholic acid 175 HMDB0000526 5a-Tetrahydrocortisol 176 HMDB0000528 4,5-Dihydroorotic acid 177 HMDB0000532 Acetylglycine 178 HMDB0000562 CREATININE 179 HMDB0000573 Elaidic acid 180 HMDB0000575 DL-Homocystine 181 HMDB0000582 3,5-Diiodothyronine 182 HMDB0000592 GLUCOSAMINE 6-SULFATE 183 HMDB0000593 PC(18:1/18:1) 184 HMDB0000618 D-Ribulose 5-phosphate 185 HMDB0000619 Cholic acid (CA) 186 HMDB0000625 gluconic acid 187 HMDB0000626 deoxycholic acid 188 HMDB0000630 Cytosine 189 HMDB0000631 Deoxycholic acid glycine conjugate (GDCA) 190 HMDB0000634 Citraconic acid 191 HMDB0000637 Chenodeoxycholic acid glycine conjugate (GCDCA) 192 HMDB0000639 Galactaric acid 193 HMDB0000641 L-Glutamine 194 HMDB0000645 GALACTOSE 1-PHOSPHATE 195 HMDB0000651 Decanoylcarnitine (C10) 196 HMDB0000660 D-Fructose
Inselspital Printed on 30.05.2018 University Institute of Clinical Chemistry Page 4/9 Bern, Switzerland Metabolite standards detected by UHPLC-HRMS
#ID NAME 197 HMDB0000661 glutaric acid 198 HMDB0000669 Ortho-Hydroxyphenylacetic acid 199 HMDB0000673 Linoleic acid 200 HMDB0000682 INDOXYL SULFATE 201 HMDB0000684 L-Kynurenine 202 HMDB0000687 L-Leucine 203 HMDB0000688 Isovalerylcarnitine (C5) 204 HMDB0000694 L-2-Hydroxyglutaric acid 205 HMDB0000696 L-Methionine 206 HMDB0000698 Lithocholic acid glycine conjugate (GLCA) 207 HMDB0000703 mandelic acid 208 HMDB0000705 Hexanoylcarnitine (C6) 209 HMDB0000707 4-hydroxyphenylpyruvic acid 210 HMDB0000708 Glycoursodeoxycholic acid (GUDCA) 211 HMDB0000714 hippuric acid 212 HMDB0000715 kynurenic acid 213 HMDB0000716 L-pipecolic acid 214 HMDB0000719 L-Homoserine 215 HMDB0000722 Lithocholyltaurine (TLCA) 216 HMDB0000725 4-Hydroxyproline 217 HMDB0000733 Hyodeoxycholic acid 218 HMDB0000742 HOMOCYSTEINE 219 HMDB0000752 Methylglutaric acid 220 HMDB0000755 Hydroxyphenyllactic acid 221 HMDB0000761 Lithocholic acid (LCA) 222 HMDB0000763 5-Hydroxyindoleacetic acid 223 HMDB0000765 MANNITOL 224 HMDB0000766 N-Acetyl-L-Alanine 225 HMDB0000774 PREGNENOLONE SULFATE 226 HMDB0000784 azelaic acid 227 HMDB0000791 L-Octanoylcarnitine (C8) 228 HMDB0000792 sebacic acid 229 HMDB0000802 PTERIN 230 HMDB0000805 Pyrrolidonecarboxylic acid 231 HMDB0000806 myristic acid 232 HMDB0000812 n-acetyl-l-aspartic acid 233 HMDB0000819 NORMETANEPHRINE 234 HMDB0000824 Propionylcarnitine (C3) 235 HMDB0000827 Stearic acid 236 HMDB0000842 quinaldic acid 237 HMDB0000848 Stearoylcarnitine (C18) 238 HMDB0000857 Pimelic acid 239 HMDB0000858 monomethyl glutaric acid 240 HMDB0000870 HISTAMINE 241 HMDB0000873 4-METHYLCATECHOL 242 HMDB0000874 Tauroursodeoxycholic acid (TUDCA) 243 HMDB0000875 TRIGONELLINE 244 HMDB0000881 Xanthurenic acid 245 HMDB0000883 L-VALINE
Inselspital Printed on 30.05.2018 University Institute of Clinical Chemistry Page 5/9 Bern, Switzerland Metabolite standards detected by UHPLC-HRMS
#ID NAME 246 HMDB0000893 suberic acid 247 HMDB0000896 Taurodeoxycholic acid (TDCA) 248 HMDB0000902 NAD 249 HMDB0000904 Citrulline 250 HMDB0000905 DEOXYADENOSINE MONOPHOSPHATE 251 HMDB0000929 L-TRYPTOPHAN 252 HMDB0000930 TRANS-CINNAMic acid 253 HMDB0000939 S-ADENOSYLHOMOCYSTEINE 254 HMDB0000946 Ursodesoxycholic acid 255 HMDB0000951 Taurochenodesoxycholic acid (TCDCA) 256 HMDB0000954 trans-ferulic acid 257 HMDB0000962 LIPOAMIDE 258 HMDB0000975 TREHALOSE 259 HMDB0001015 N-FORMYL-L-METHIONINE 260 HMDB0001065 2-Hydroxyphenethylamine 261 HMDB0001072 COENZYME Q10 262 HMDB0001078 MANNOSE 6-PHOSPHATE 263 HMDB0001123 2-Aminobenzoic acid 264 HMDB0001129 N-ACETYLMANNOSAMINE 265 HMDB0001138 n-acetylglutamic acid 266 HMDB0001149 5-aminolevulinic acid 267 HMDB0001151 ALLOSE 268 HMDB0001160 tricosanoic acid 269 HMDB0001161 4-Trimethylammoniobutanoic acid 270 HMDB0001173 5'-Methylthioadenosine 271 HMDB0001178 ADENOSINE DIPHOSPHATE RIBOSE 272 HMDB0001186 N1-ACETYLSPERMINE 273 HMDB0001190 INDOLEACETALDEHYDE 274 HMDB0001202 DEOXYCYTIDINE MONOPHOSPHATE (dCMP) 275 HMDB0001227 5-Thymidylic acid 276 HMDB0001238 N-ACETYLSEROTONIN 277 HMDB0001254 GLUCOSAMINE 6-PHOSPHATE 278 HMDB0001256 SPERMINE 279 HMDB0001257 SPERMIDINE 280 HMDB0001314 Cyclic GMP 281 HMDB0001325 N6,N6,N6-Trimethyl-L-lysine 282 HMDB0001328 DTDP-D-GLUCOSE 283 HMDB0001341 ADENOSINE 5'-DIPHOSPHATE (ADP) 284 HMDB0001354 5,10-Methenyltetrahydrofolic acid 285 HMDB0001366 PURINE 286 HMDB0001370 Diaminopimelic acid 287 HMDB0001389 MELATONIN 288 HMDB0001392 p-Aminobenzoic acid 289 HMDB0001396 5-Methyltetrahydrofolic acid 290 HMDB0001401 GLUCOSE 6-PHOSPHATE 291 HMDB0001406 niacinamide 292 HMDB0001413 CITICOLINE 293 HMDB0001431 PYRIDOXAMINE 294 HMDB0001432 AGMATINE
Inselspital Printed on 30.05.2018 University Institute of Clinical Chemistry Page 6/9 Bern, Switzerland Metabolite standards detected by UHPLC-HRMS
#ID NAME 295 HMDB0001434 3-METHOXYTYROSINE 296 HMDB0001476 3-hydroxyanthranilic acid 297 HMDB0001487 NADH 298 HMDB0001488 nicotinic acid 299 HMDB0001491 Pyridoxal 5'-phosphate 300 HMDB0001514 GLUCOSAMINE 301 HMDB0001517 AICAR 302 HMDB0001522 METHYLGUANIDINE 303 HMDB0001537 6-HYDROXYDOPAMINE 304 HMDB0001539 Asymmetric dimethylarginine 305 HMDB0001545 PYRIDOXAL 306 HMDB0001547 CORTICOSTERONE 307 HMDB0001548 D-RIBOSE 5-PHOSPHATE 308 HMDB0001562 folinic acid 309 HMDB0001564 CDP-ETHANOLAMINE 310 HMDB0001565 PHOSPHORYLCHOLINE 311 HMDB0001645 L-NORLEUCINE 312 HMDB0001846 Tetrahydrofolic acid 313 HMDB0001847 CAFFEINE 314 HMDB0001851 L-Arabitol 315 HMDB0001856 Protocatechuic acid 316 HMDB0001860 PARAXANTHINE 317 HMDB0001861 3-METHYLHISTAMINE 318 HMDB0001870 Benzoic acid 319 HMDB0001889 THEOPHYLLINE 320 HMDB0001895 salicylic acid 321 HMDB0001939 Medroxyprogesterone 322 HMDB0001964 Caffeic acid 323 HMDB0001983 5'-DEOXYADENOSINE 324 HMDB0001999 Eicosapentaenoic acid 325 HMDB0002013 Butyrylcarnitine (C4) 326 HMDB0002024 Imidazoleacetic acid 327 HMDB0002035 4-Hydroxycinnamic acid 328 HMDB0002059 12-hydroxydodecanoic acid 329 HMDB0002064 N-ACETYLPUTRESCINE 330 HMDB0002068 erucic acid 331 HMDB0002183 docosahexaenoic acid 332 HMDB0002212 arachidic acid 333 HMDB0002250 dodecanoylcarnitine (C12) 334 HMDB0002259 heptadecanoic acid 335 HMDB0002368 nervonic acid 336 HMDB0002393 N-Methyl-D-aspartic acid 337 HMDB0002466 3-hydroxybenzoic acid 338 HMDB0002545 Galacturonic acid 339 HMDB0002658 6-hydroxynicotinic acid 340 HMDB0002666 THIAMINE MONOPHOSPHATE 341 HMDB0002757 Cysteic acid 342 HMDB0002802 CORTISONE 343 HMDB0002825 THEOBROMINE
Inselspital Printed on 30.05.2018 University Institute of Clinical Chemistry Page 7/9 Bern, Switzerland Metabolite standards detected by UHPLC-HRMS
#ID NAME 344 HMDB0002894 5-METHYLCYTOSINE 345 HMDB0002917 D-Xylitol 346 HMDB0002931 N-ACETYLSERINE 347 HMDB0003070 Shikimic acid 348 HMDB0003072 Quinic acid 349 HMDB0003073 gamma-linolenic acid 350 HMDB0003157 Guanidinosuccinic acid 351 HMDB0003213 RAFFINOSE 352 HMDB0003331 1-METHYLADENOSINE 353 HMDB0003337 L-Glutathione oxidized 354 HMDB0003337 Oxidized glutathione 355 HMDB0003349 l-dihydroorotic acid 356 HMDB0003355 5-aminopentanoic acid 357 HMDB0003418 D-Tagatose 358 HMDB0003431 L-Histidinol 359 HMDB0003441 Cinnamaldehyde 360 HMDB0003447 tryptophanol 361 HMDB0003464 4-guanidinobutanoic acid 362 HMDB0003466 L-GULONOLACTONE 363 HMDB0003474 3,5-DIIODO-L-TYROSINE 364 HMDB0003553 STACHYOSE 365 HMDB0003572 Rosmarinic acid 366 HMDB0003581 DETHIOBIOTIN 367 HMDB0003681 4-acetamidobutanoic acid 368 HMDB0003701 Dimethylbenzimidazole 369 HMDB0003966 SELENOMETHIONINE 370 HMDB0004230 Pyrrole-2-carboxylic acid 371 HMDB0004370 N-METHYLTRYPTAMINE 372 HMDB0004437 DIETHANOLAMINE 373 HMDB0004620 N-a-Acetyl-L-arginine 374 HMDB0004825 P-OCTOPAMINE 375 HMDB0005066 Tetradecanoylcarnitine (C14) 376 HMDB0005765 Ophthalmic acid 377 HMDB0005785 Indole-3-carbinol 378 HMDB0005821 Beta-Cortol 379 HMDB0006028 N-ACETYLASPARAGINE 380 HMDB0006055 4-Hydroxy-L-proline 381 HMDB0006355 D-Glucurono-6,3-lactone 382 HMDB0006483 D-Aspartic acid 383 HMDB0006557 ADP-GLUCOSE 384 HMDB0006831 3-DEHYDROXYCARNITINE 385 HMDB0007866 PC(14:0/14:0) 386 HMDB0008923 DIPALMITOYL-PHOSPHOETHANOLAMINE (PE(16:0/16:0)) 387 HMDB0010382 PC(16:0/0:0) 388 HMDB0010384 PC(18:0/0:0) 389 HMDB0011600 3-METHYLADENINE 390 HMDB0011602 3-Oxoalanine 391 HMDB0011616 ADENOSINE 2',3'-CYCLIC PHOSPHATE 392 HMDB0011634 NORSPERMIDINE
Inselspital Printed on 30.05.2018 University Institute of Clinical Chemistry Page 8/9 Bern, Switzerland Metabolite standards detected by UHPLC-HRMS
#ID NAME 393 HMDB0011691 CYTIDINE 2',3'-CYCLIC PHOSPHATE 394 HMDB0011718 4-HYDROXYBENZALDEHYDE 395 HMDB0011745 N-Acetyl-L-methionine 396 HMDB0011747 Ciliatine 397 HMDB0011756 N-ACETYLLEUCINE 398 HMDB0013130 GLUTARYLCARNITINE (C5DC) 399 HMDB0013133 Methylmalonylcarnitine (C4DC) 400 HMDB0013318 Tryptophanamide 401 HMDB0013609 D-TRYPTOPHAN 402 HMDB0013713 N-acetyltryptophan 403 HMDB0013716 NORVALINE 404 HMDB0013751 2-HYDROXYPYRIDINE 405 HMDB0015687 SALICYLAMIDE 406 HMDB0029415 S-Carboxymethyl-L-cysteine 407 HMDB0029430 METHIONINE SULFOXIMINE 408 HMDB0029659 2',4'-DIHYDROXYACETOPHENONE 409 HMDB0029738 INDOLE-3-METHYL ACETATE 410 HMDB0029739 1H-Indole-3-acetamide 411 HMDB0029965 methyl beta-d-glucopyranoside 412 HMDB0031518 D-Malic acid 413 HMDB0033713 2-UNDECANONE 414 HMDB0033752 3-(2-hydroxyphenyl)propanoic acid 415 HMDB0036458 1-Aminocyclopropanecarboxylic acid 416 HMDB0037115 (±)-2-Hydroxy-4-(methylthio)butanoic acid 417 HMDB0040733 PHENYL ACETATE 418 HMDB0042012 SALSOLINOL 419 HMDB0042061 GLYCERYL TRIMYRISTATE (TG(14:0/14:0/14:0)) 420 HMDB0060080 THYROTROPIN RELEASING HORMONE 421 HMDB0060412 6-Methylmercaptopurine 422 HMDB0060460 CIS-4-HYDROXY-D-PROLINE 423 YMDB00221 DEOXYURIDINE-MONOPHOSPHATE 424 YMDB00390 3-DEHYDROSHIKIMATE 425 YMDB00917 O-SUCCINYL-HOMOSERINE
Inselspital Printed on 30.05.2018 University Institute of Clinical Chemistry Page 9/9 Bern, Switzerland