LC/MS/MS Method Package for Primary Metabolites Ver.3

Home , Cystathionine, Glyceric acid, Thymidine diphosphate, Thymidine monophosphate, Thymidine triphosphate, Vanillin

L C/MS/MS Method Package for Primary Metabolites Ver.3 C146-E437

List of compounds for the non-ion-pair reagent method system lytic Glyco- Organic acids Co-enzyme Lactic acid 2-Aminobutyric acid FAD Pyruvic acid 4-Aminobenzoic acid FMN

cycle TCA 4-Aminobutyric acid NAD 2-Ketoglutaric acid Caffeic acid Niacinamide Aconitic acid Cholic acid Nicotinic acid Citric acid Creatine Fumaric acid Ferulic acid pathway acid mevalonic Non- Isocitric acid Glycolic acid DOXP Malic acid Glyoxylic acid MEP Succinic acid Ophthalmic acid cycle Urea Orotic acid pathway acid Mevalonic For LabSolutions LCMS Argininosuccinic acid p-Coumaric acid Mevalonic acid Ornithine Phenyllactic acid MVA-P Citrulline

Amino acids Phenylpyruvic acid

4-Hydroxyproline Alkaloid Taurocholic acid LC/MS/MS Method Package Alanine Higenamine Urocanic acid Anthranilic acid Reticuline Vanillic acid Arginine THP lamine Catecho- Asparagine Dopamine Aspartic acid Others for Primary Metabolites Ver.3 Epinephrine 4-Aminophenylalanine Asymmetric dimethylarginine Norepinephrine 4-Aminophenylpyruvic acid Cystine Serotonin Dimethylglycine 4-Hydroxybenzoic acid Vitamin B Glutamic acid Folic acid Acetylcarnitine Glutamine Pantothenic acid Acetylcholine Glycine PLP Carnitine

Histidine Nucleosides and Nucleotides Carnosine Homocystine Adenine Catechol Isoleucine Adenosine Choline Leucine Adenosine 3',5'-cyclic monophosphate Citicoline Lysine Adenosine monophosphate Creatinine Methionine sulfoxide Adenylsuccinic acid Cysteamine Phenylalanine AICAR Dihydroxyphenylacetaldehyde Proline Cytidine Dihydroxyphenylacetic acid Serine Cytidine 3',5'-cyclic monophosphate Dopa Symmetric dimethylarginine Cytidine monophosphate Ergothioneine Threonine Cytosine Histamine Tryptophan Guanine Histidinol Valine Guanosine Hydroxytyrosol Transsulfuration cycle Methylation and Cystathionine Guanosine 3',5'-cyclic monophosphate Indole Cysteine Guanosine monophosphate Kynurenine Homocysteine Inosine Methyl-DOPA Methionine Thymidine Protocatechuic acid 5-Glutamylcysteine Thymidine monophosphate Protocatechuic aldehyde Glutathione Thymine Resveratrol Oxidized glutathione Tyrosine Salicylic acid S-Adenosylhomocysteine Uracil Sinapic acid S-Adenosylmethionine Uridine Tyramine derivative Purine Vanillin pathway Shikimic acid 3-Dehydroquinic acid Allantoin 3-Dehydroshikimic acid Hypoxanthine STDs Internal 2-Morpholinoethanesulfonic acid Chorismic acid Uric acid Methionine sulfone Shikimic acid Xanthine Shikimic acid 3-phosphate

* With this method package, choose between the ion-pair reagent method (112 compounds) or the PFPP column method (141 compounds) depending on your equipment and analysis aims.

Precautions LabSolutions LCMS Ver.5.99 SP2 or later is required. This method package is for research use only.

LabSolutions and Nexera are trademarks of Shimadzu Corporation. GARUDA is a trademark of The Systems Biology Institute.

For Research Use Only. Not for use in diagnostic procedures. This publication may contain references to products that are not available in your country. Please contact us to check the availability of these products in your country. Company names, products/service names and logos used in this publication are trademarks and trade names of Shimadzu Corporation, its subsidiaries or its af liates, whether or not they are used with trademark symbol “TM” or “®”. Third-party trademarks and trade names may be used in this publication to refer to either the entities or their products/services, whether or not they are used with trademark symbol “TM” or “®”. Shimadzu disclaims any proprietary interest in trademarks and trade names other than its own. www.shimadzu.com/an/ The contents of this publication are provided to you “as is” without warranty of any kind, and are subject to change without notice. Shimadzu does not assume any responsibility or liability for any damage, whether direct or indirect, relating to the use of this publication.

This Method Package enables ef cient, simultaneous analysis of a large number of compounds. Optimized LC All methods are compatible with both the Nexera series and the LCMS-8045/8050/8060 (NX), covering a wide separation conditions and MS parameters reduce the time and effort expended on method development. range of analysis needs.

Choice of optimized analysis conditions A total solution from pretreatment to analysis

Choose between two method types to suit your analysis aims and equipment. The ion-pair reagent method This Method Package includes protocols for preparing biological tissue extracts, enabling stable analysis with (112 compounds) is particularly useful for the analysis of sugar phosphates, while the non-ion-pair reagent proven pretreatment techniques and reducing the labor and expense involved in method development. method (141 compounds), effective in the research of high-value-added substances, does not require ion-pair reagents and in this version has been expanded to include compounds involved in the mevalonate and shikimic acid pathways. Index of compounds 14000000 13000000 List of compounds for the ion-pair reagent method 12000000 Glycolytic system Co-enzyme Nucleosides and Nucleotides 11000000 2,3-Bisphosphoglyceric acid 3-Hydroxybutyryl coenzyme A Adenine 10000000 3-Phosphoglyceric acid Butyryl coenzyme A Adenosine 9000000 (2-Phosphoglyceric acid) Coenzyme A Adenosine 3',5'-cyclic monophosphate 8000000 Dihydroxyacetone phosphate Crotonyl coenzyme A Adenosine diphosphate 7000000 Fructose 1,6-bisphosphate FAD Adenosine monophosphate 6000000 Glucose 1-phosphate FMN Adenosine triphosphate 5000000 Glucose 6-phosphate Malonyl coenzyme A AICAR 4000000 Glycerol 3-phosphate Methylmalonyl coenzyme A Cytidine 3000000 Phosphoenolpyruvic acid NAD Cytidine diphosphate Pyruvic acid NADH Cytidine monophosphate

2000000 phate pathway Pentose-phos Fructose 6-phosphate NADP Cytidine triphosphate 1000000 Glyceraldehyde 3-phosphate NADPH Guanine 0 6-Phosphogluconic acid Nicotinic acid Guanosine 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 11.0 12.0 13.0 14.0 min Erythrose 4-phosphate Pyrroloquinoline quinone Guanosine 3',5'-cyclic monophosphate

Ribose 1-phosphate pathway acid mevalonic Non- Guanosine diphosphate Overlaid MRM chromatograms for simultaneous analysis of a mixture of 141 standards with the non-ion-pair reagent method Ribose 5-phosphate HMBPP Guanosine monophosphate Ribulose 5-phosphate IPP_DMAPP Guanosine triphosphate Sedoheptulose 7-phosphate MEP Inosine pathway acid Shikimic

phosphate Sugar Inosine monophosphate Fructose 1-phosphate Shikimic acid Orotic acid Mannose 6-phosphate Shikimic acid 3-phosphate Thymidine Visualization of metabolic changes Phosphoribosyl pyrophosphate Thymidine diphosphate Ribulose 1,5-bisphosphate Organic acids 2-Isopropylmalic acid Thymidine monophosphate cycle TCA Thymidine triphosphate With the included Multi-omics Data Analysis Package, quantitative data can be visualized easily on a meta- Acetyl coenzyme A 3-Hydroxyphenylacetic acid Thymine 2-Ketoglutaric acid 4-Hydroxyphenyl pyruvic acid bolic map. Uridine Succinyl coenzyme A Citramalic acid Glyceric acid Uridine diphosphate Amino acids 8000000 20000000 7000000 17500000 2-Aminobutyric acid Glycerol 2-phosphate Uridine monophosphate 6000000 15000000 5000000 12500000 4-Aminobutyric acid Glycerol 3-phosphate Uridine triphosphate 4000000 10000000 3000000 7500000 Alanine Glycolic acid Xanthosine monophosphate 2000000 5000000 1000000 2500000 sugar Nucleotide 0 0 Arginine Indole 3-acetic acid 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 6.5 7.0 7.5 8.0 8.5 9.0 9.5 min 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 6.5 7.0 7.5 8.0 8.5 9.0 9.5 min Asparagine Pantothenic acid ADP-glucose Aspartic acid UDP-glucose Cysteine Glutamic acid Glutamine derivative Purine Hypoxanthine Glycine Uric acid Histidine Xanthine 4-Hydroxyproline Isoleucine STDs Internal Leucine 2-Morpholinoethanesulfonic acid Lysine Methionine sulfone Methionine Phenylalanine Proline Serine Threonine Tryptophan Tyrosine Valine

http://www.garuda-alliance.org/ Visualization of simultaneous analysis results from the PFPP column method, created with the Multi-omics Data Analysis Package Ready-to-use methods for 200 compounds Compatible with the Nexera™ series and the LCMS-8060NX