Page 2 - Shimadzu Exact Mass Database for Endogenous Metabolites

Ready-to-use methods for metabolomics Category Compound name P.M. C.C. L.M. S.C. B.A Category Compound name P.M. C.C. L.M. S.C. B.A
Argininosuccinic acid ○ Nucleic-acid- Xanthine ○ ○
beta-Hydroxybutyric acid ○ related Xanthosine ○
The physical properties of target compounds in metabolomics can vary greatly. An analysis method tailored to the target compounds is
Butyric acid ○ 4-Aminobenzoic acid ○
therefore needed for comprehensive measurements of metabolites. Citric acid ○ ○ ○ 4-Hydroxyphenyllactic acid ○ ○
Creatine ○ Ascorbic acid ○
This database contains multiple ready-to-use methods for comprehensive analysis of metabolites with different properties. Pretreatment
Fumaric acid ○ ○ ○ Ascorbic acid 2-phosphate ○
examples are also included for various metabolites and samples. The user can begin a metabolomics analysis without time-consuming Gluconic acid ○ Biotin ○
Glycolic acid ○ Cyanocobalamin ○
evaluation of LC or MS conditions. ○
Glyoxylic acid ○ Ergocalciferol
Isobutyric acid ○ Vitamins Folic acid ○
Isocitric acid ○ ○ ○ Folinic acid ○
Information for 470 compounds Isovaleric acid ○ Lipoic acid ○
Lactic acid ○ ○ ○ Niacinamide ○ ○
This database is based on the successful LC/MS/MS Method Method name No. of registered compounds Organic acids Maleic acid ○ ○ ○ Pyridoxal ○
○
○
Packages for Primary Metabolites, Cell Culture Profiling, Lipid Primary metabolites 99 Malic acid ○ Pyridoxine ○
Ribo avin
Malonic acid
Mediators, Short Chain Fatty Acids, and Bile Acids, and provides a Cell culture profiling 96 Methionine sulfone ○ Tocopherol acetate ○
Nicotinic acid ○ ○ 11(S)-HETE ○
comprehensive list of 470 metabolites (including internal standards) Lipid mediators 214 Ophthalmic acid ○ 11-trans LTC4 ○
with retention times and exact mass information. Short chain fatty acids 23 Orotic acid ○ 11-trans LTD4 ○
Oxaloacetic acid ○ 11-trans LTE4 ○
Bile acids 38
Pantothenic acid ○ ○ 11β-Prostaglandin E2 ○
Propionic acid ○ 11β-Prostaglandin F2α ○
Pyruvic acid ○ ○ ○ 12(S)-HETE ○
The database is compatible with the Multi-omics Analysis Package
Succinic acid ○ ○ ○ 12(S)-HHTrE ○
(sold separately). Processing the analysis results with the Multi-omics Threonic acid ○ 12-oxo LTB4 ○
Uric acid ○ ○ 15(S)-HETE ○
Analysis Package allows metabolic mapping, network analysis and
Valeric acid ○ 15(S)-HpETE ○
projection on the metabolic map to be carried out easily. 12-keto-Deoxycholic acid ○ 15-keto Prostaglandin E2 ○
7-keto-Deoxycholic acid ○ 15-keto Prostaglandin F1α ○
7-keto-Lithocholic acid ○ 15-keto Prostaglandin F2α ○
allo-Chenodeoxycholic acid ○ 15-OxoETE ○
allo-Lithocholic acid ○ 18-carboxy dinor LTB4 ○
Chenodeoxycholic acid ○ 19(S)-HETE ○
Cholic acid ○ ○ 20-carboxy arachidonic acid ○
Deoxycholic acid ○ 20-carboxy leukotriene B4 ○
Glycochenodeoxycholic acid ○ 20-HETE ○
Glycocholic acid ○ 20-hydroxy leukotriene B4 ○
Glycodeoxycholic acid ○ 20-hydroxy Prostaglandin E2 ○
Glycohyodeoxycholic acid ○ 20-hydroxy Prostaglandin F2α ○
Glycolithocholic acid ○ 5(S),14(R)-LXB4 ○
Glycoursodeoxycholic acid ○ 5(S)-HEPE ○
Bile acids
Hyodeoxycholic acid ○ 5(S)-HETE ○
http://www.garuda-alliance.org/ Lithocholic acid ○ 5(S)-HETrE ○
Tauro-a-muricholic acid ○ 5(S)-HpEPE ○
Tauro-b-muricholic acid ○ Lipid 5(S)-HpETE ○
List of registered compounds Taurochenodeoxycholic acid ○ ○ mediators 5-OxoETE ○
○
○
Taurocholic acid
6-keto Prostaglandin E1
Taurodeoxycholic acid ○ 6-keto-Prostaglandin F1α ○
Category Compound name P.M. C.C. L.M. S.C. B.A Category Compound name P.M. C.C. L.M. S.C. B.A Taurohyodeoxycholic acid ○ 6-trans LTB4 ○
4-Hydroxyproline ○ Methionine ○ ○ Taurolithocholic acid ○ 7(R)-Maresin 1 ○
5-Oxoproline ○ Methionine sulfoxide ○ ○ Tauroursodeoxycholic acid ○ 8(S),15(S)-DiHETE ○
Acetylcarnitine ○ N-Acetylaspartic acid ○ Ursodeoxycholic acid ○ 8(S)-HEPE ○
Alanine ○ ○ N-Acetylcysteine ○ α-Muricholic acid ○ 8(S)-HETE ○
Alanyl-glutamine ○ Ornithine ○ ○ β-Muricholic acid ○ 8(S)-HETrE ○
Arginine ○ ○ Phenylalanine ○ ○ ω-Muricholic acid ○ 8-iso Prostaglandin A1 ○
Asparagine ○ ○ Amino acids Pipecolic acid ○ Adenine ○ ○ 8-iso Prostaglandin A2 ○
Aspartic acid ○ ○ Proline ○ ○ Adenosine ○ ○ 8-iso Prostaglandin E1 ○
Asymmetric dimethylarginine ○ Serine ○ ○ Adenosine 3',5'-cyclic monophosphate ○ 8-iso Prostaglandin E2 ○
Citrulline ○ ○ Symmetric dimethylarginine ○ Adenosine monophosphate ○ ○ 9(S)-HEPE ○
Cystathionine ○ ○ Threonine ○ ○ Citicoline ○ Arachidonic Acid (AA) ○
Cysteine ○ ○ Tryptophan ○ ○ Cytidine ○ ○ Arachidonoyl ethanolamide ○
Amino acids Cystine ○ ○ Tyrosine ○ ○ Cytidine 3',5'-cyclic monophosphate ○ Azelaoyl PAF ○
Cytosine ○ Valine ○ ○ Cytidine monophosphate ○ ○ Docosahexaenoic Acid (DHA) ○
Dimethylglycine ○ 2-Aminobutyric acid ○ ○ Deoxycytidine ○ Eicosapentaenoic Acid (EPA) ○
Glutamic acid ○ ○ 2-Ethylbutyric acid ○ Nucleic-acid- Guanine ○ ○ iPF2α-IV ○
related
Glutamine ○ ○ 2-Hydroxyglutaric acid ○ Guanosine ○ ○ Leukotriene B3 ○
Glycine ○ ○ 2-Isopropylmalic acid ○ Guanosine 3',5'-cyclic monophosphate ○ Leukotriene B4 ○
Glycyl-glutamine ○ 2-Ketoglutaric acid ○ ○ Guanosine monophosphate ○ ○ Leukotriene B5 ○
Histidine ○ ○ Organic acids 2-Ketoisovaleric acid ○ Inosine ○ ○ Leukotriene C4 ○
Homocysteine ○ 2-Oxobutyric acid ○ Thymidine ○ ○ Leukotriene D4 ○
Homocystine ○ 4-Aminobutyric acid ○ ○ Thymidine monophosphate ○ Leukotriene E4 ○
Isoleucine ○ ○ Acetic acid ○ Thymine ○ ○ Leukotriene F4 ○
Leucine ○ ○ Aconitic acid ○ Uracil ○ ○ Lipoxin A5 ○
Lysine ○ ○ Adenylsuccinic acid ○ Uridine ○ ○ LTB4 ethanolamide ○
P.M. = Primary metabolites method, C.C. = Cell culture pro ling method, L.M. = Lipid mediators methods, S.C. = Short chain fatty acids method, B.A. = Bile acids method
This database contains retention times and exact mass information for 470 metabolites including the above metabolites and internal standards
* Compatible devices: LCMS-9030