#METABOLOMICS WORKBENCH JamesDodds_20180727_083718 DATATRACK_ID:1466 STUDY_ID:ST001030 ANALYSIS_ID:AN001690 PROJECT_ID:PR000688 VERSION 1 CREATED_ON August 8, 2018, 2:40 pm #PROJECT PR:PROJECT_TITLE Primary Metabolite CCS Library PR:PROJECT_TYPE Ion Mobility Database PR:PROJECT_SUMMARY Library CCS values for primary metabolites based on purchased analytical PR:PROJECT_SUMMARY standards PR:INSTITUTE Vanderbilt University PR:DEPARTMENT Chemistry PR:LABORATORY McLean Lab PR:LAST_NAME Dodds PR:FIRST_NAME James PR:ADDRESS 7330 Stevenson Ct., Nashville, Tennessee, 37235, USA PR:EMAIL james.n.dodds@vanderbilt.edu PR:PHONE 6787235637 PR:FUNDING_SOURCE NIH NIGMS R01GM092218, NIH NCI 1R03CA222452-01 #STUDY ST:STUDY_TITLE Untargeted Discovery in Primary Metabolism: Collision Cross Section as a ST:STUDY_TITLE Molecular Descriptor in Ion Mobility Spectrometry ST:STUDY_TYPE Database Library ST:STUDY_SUMMARY In this work we have established a collision cross section (CCS) library of ST:STUDY_SUMMARY primary metabolites based on analytical standards in the Mass Spectrometry ST:STUDY_SUMMARY Metabolite Library of Standards (MSMLS). Using a commercially available ion ST:STUDY_SUMMARY mobility-mass spectrometer (IM-MS, Agilent 6560), from the 554 unique compounds ST:STUDY_SUMMARY in the MSMLS plate library we obtained a total of 1246 CCS measurements over a ST:STUDY_SUMMARY wide range of biochemical classes and adduct types. Resulting data analysis ST:STUDY_SUMMARY showed that the curated CCS library provides broad molecular coverage of ST:STUDY_SUMMARY metabolic pathways and highlights intrinsic mass/mobility relationships for ST:STUDY_SUMMARY specific metabolite superclasses. The separation and characterization of ST:STUDY_SUMMARY isomeric metabolites were assessed as well as an investigation to determine the ST:STUDY_SUMMARY analytical separation efficiency in both the mass (m/z) and mobility (CCS/ΔCCS) ST:STUDY_SUMMARY dimension required for untargeted metabolomic analyses. To further demonstrate ST:STUDY_SUMMARY the analytical utility of CCS as an additional molecular descriptor, a well ST:STUDY_SUMMARY characterized biological sample of human plasma serum (NIST 1950) was examined ST:STUDY_SUMMARY by LC-IM-MS and a detailed analysis of carbohydrate isomers by ion mobility is ST:STUDY_SUMMARY presented. ST:INSTITUTE Vanderbilt University ST:DEPARTMENT Chemistry ST:LABORATORY McLean Laboratory ST:LAST_NAME Dodds ST:FIRST_NAME James ST:ADDRESS 7330 Stevenson Ct., Nashville, Tennessee, 37235, USA ST:EMAIL james.n.dodds@vanderbilt.edu ST:PHONE 6787235637 #SUBJECT SU:SUBJECT_TYPE Other SU:SUBJECT_SPECIES Chemical Standards #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - (2-AMINOETHYL)PHOSPHONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 1,3-DIAMINOPROPANE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 10-HYDROXYDECANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 1-AMINOCYCLOPROPANECARBOXYLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 1-HYDROXY-2-NAPHTHOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 1-METHYLADENOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 1-METHYL-L-HISTIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 1-METHYLNICOTINAMIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 1-PHENYLETHANOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2,3-BUTANEDIOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2,3-DIAMINOPROPIONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2,3-DIHYDROXYBENZOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2',4'-DIHYDROXYACETOPHENONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2,4-DIHYDROXYPTERIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2,5-DIHYDROXYBENZOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2,5-DIMETHYLPYRAZINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2,6-DIHYDROXYPYRIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 25-HYDROXYCHOLESTEROL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-AMINOISOBUTYRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-AMINOPHENOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-DEOXY-D-GLUCOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-HYDROXY-4-(METHYLTHIO)BUTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-HYDROXYBUTYRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-HYDROXYPHENYLACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-HYDROXYPYRIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-METHOXYETHANOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-METHYLBUTANAL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-METHYLGLUTARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-METHYLMALEATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-METHYLPROPANAL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-OXOBUTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-PHOSPHOGLYCERATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-PROPENOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-QUINOLINECARBOXYLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 2-UNDECANONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-(2-HYDROXYPHENYL)PROPANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-(4-HYDROXYPHENYL)PYRUVATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3,4 DIHYDROXYMANDELATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3,4-DIHYDROXYBENZOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3,4-DIHYDROXYPHENYLACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3,4-DIHYDROXYPHENYLGLYCOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3,5-DIIODO-L-THYRONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3,5-DIIODO-L-TYROSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE 3,21-DIACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-AMINO-4-HYDROXYBENZOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-AMINO-5-HYDROXYBENZOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-DEHYDROSHIKIMATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-HYDROXY-3-METHYLGLUTARYL-COA SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-HYDROXYANTHRANILATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-HYDROXYBENZALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-HYDROXYBENZOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-HYDROXYBENZYL ALCOHOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-HYDROXYBUTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-HYDROXYMETHYLGLUTARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-HYDROXYPHENYLACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-METHOXY-4-HYDROXYMANDELATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-METHOXYTYRAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-METHOXYTYROSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-METHYL-2-OXINDOLE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-METHYL-2-OXOVALERATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-METHYLADENINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-METHYLCROTONYL-COA SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-METHYLHISTAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-NITRO-L-TYROSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-PHOSPHOGLYCERATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 3-SULFINOALANINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-ACETAMIDOBUTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-AMINOBENZOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-COUMARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-GUANIDINOBUTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-HYDROXY-3-METHOXYPHENYLGLYCOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-HYDROXYBENZALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-HYDROXYBENZOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-HYDROXY-L-PHENYLGLYCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-IMIDAZOLEACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-METHYLCATECHOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-PYRIDOXATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 4-QUINOLINECARBOXYLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 5,6 DIMETHYLBENZIMIDAZOLE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 5-AMINOLEVULINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 5-AMINOPENTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 5'-DEOXYADENOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 5-HYDROXYINDOLEACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 5-HYDROXYLYSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 5-HYDROXYTRYPTOPHAN SampleType:Standard SUBJECT_SAMPLE_FACTORS - 5-METHYLCYTOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 5-VALEROLACTONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 6-CARBOXYHEXANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 6-HYDROXYDOPAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 6-HYDROXYNICOTINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 6-PHOSPHOGLUCONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - 7-DEHYDROCHOLESTEROL SampleType:Standard SUBJECT_SAMPLE_FACTORS - ACETOACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ACETOIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - ACETYLCHOLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ACETYLPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADENINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADENOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADENOSINE 2',3'-CYCLIC PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADENOSINE 3',5'-DIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADENOSINE 5'-DIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADENOSINE DIPHOSPHATE RIBOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADENOSINE TRIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADENOSINE-MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADIPATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ADP-GLUCOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - AGMATINE SULFATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - AICAR SampleType:Standard SUBJECT_SAMPLE_FACTORS - ALLANTOIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - ALLOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ALLOTHREONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ALLYL ISOTHIOCYANATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ALPHA-D-GLUCOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ALPHA-HYDROXYISOBUTYRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ALPHA-TOCOPHEROL SampleType:Standard SUBJECT_SAMPLE_FACTORS - AMINOADIPATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - AMINOISOBUTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ANILINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ANILINE-2-SULFONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ANSERINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ANTHRANILATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ARABINOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ARABITOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - ARACHIDATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ARGININE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ASCORBATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ASPARAGINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ASPARTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - AZELATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BENZALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BENZOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BENZYL ALCOHOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - BENZYLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BETA-ALANINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BETA-CAROTENE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BETA-GLYCEROPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BETAINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BILIRUBIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - BILIVERDIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - BIOTIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - BIS(2-ETHYLHEXYL)PHTHALATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - BUTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CADAVERINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CAFFEATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CAFFEINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CAPRYLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CARBAMOYL PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CARNOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CDP-ETHANOLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CELLOBIOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CHENODEOXYCHOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CHOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CHOLESTERYL OLEATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CHOLESTERYL PALMITATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CHOLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CIS-4-HYDROXY-D-PROLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CITICOLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CITRAMALATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CITRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CITRULLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - COENZYME A SampleType:Standard SUBJECT_SAMPLE_FACTORS - COENZYME Q10 SampleType:Standard SUBJECT_SAMPLE_FACTORS - CORTEXOLONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CORTICOSTERONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CORTISOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - CORTISOL 21-ACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CORTISONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CREATINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CREATININE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYANOCOBALAMIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYCLIC AMP SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYCLIC GMP SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYCLOPENTANONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYS-GLY SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYSTATHIONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYSTEAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYSTEATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYSTEINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYSTINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYTIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYTIDINE 2',3'-CYCLIC PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYTIDINE DIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYTIDINE MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYTIDINE TRIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYTOCHROME C SampleType:Standard SUBJECT_SAMPLE_FACTORS - CYTOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - D-ALANINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DECANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEHYDROASCORBATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYADENOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYADENOSINE MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYADENOSINE TRIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYCARNITINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYCHOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYCORTICOSTERONE ACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYCYTIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYCYTIDINE MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYCYTIDINE-DIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYGUANOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYGUANOSINE-MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYRIBOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYURIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYURIDINE TRIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DEOXYURIDINE-MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DESMOSTEROL SampleType:Standard SUBJECT_SAMPLE_FACTORS - DETHIOBIOTIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - DGDP SampleType:Standard SUBJECT_SAMPLE_FACTORS - D-GLUCURONOLACTONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DGTP SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIACETYL SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIAMINOPIMELATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIDECANOYL-GLYCEROPHOSPHOCHOLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIETHANOLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIETHYL 2-METHYL-3-OXOSUCCINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIHYDROBIOPTERIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIHYDROFOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIHYDROOROTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIHYDROURACIL SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIHYDROXYACETONE PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIHYDROXYFUMARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIPALMITOYLGLYCEROL SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIPALMITOYL-PHOSPHATIDYLCHOLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DIPALMITOYL-PHOSPHOETHANOLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - D-MANNOSAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DOCOSAHEXAENOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DOPAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - D-ORNITHINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - D-RIBOSE 5-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - DTDP-D-GLUCOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - EICOSAPENTAENOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ELAIDATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - EPINEPHRINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ERUCATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ERYTHRITOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - ESTRADIOL-17ALPHA SampleType:Standard SUBJECT_SAMPLE_FACTORS - ETHANOLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ETHANOLAMINE PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ETHYL 3-INDOLEACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ETHYL 3-UREIDOPROPIONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ETHYLMALONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - FAD SampleType:Standard SUBJECT_SAMPLE_FACTORS - FERULATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - FOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - FORMAMIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - FRUCTOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - FRUCTOSE 6-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - FRUCTOSE BISPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - FUCOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - FUMARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GALACTARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GALACTITOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - GALACTOSAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GALACTOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GALACTOSE 1-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GALACTURONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GAMMA,GAMMA-DIMETHYLALLYL PYROPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GAMMA-AMINOBUTYRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GAMMA-LINOLENATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GERANYL-PP SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUCONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUCONOLACTONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUCOSAMINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUCOSAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUCOSAMINE 6-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUCOSAMINE 6-SULFATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUCOSE 1-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUCOSE 6-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUCURONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUTAMATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUTAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUTARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUTARYLCARNITINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLUTATHIONE REDUCED SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCERALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCERALDEHYDE 3-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCERATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCEROL SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCEROL 3-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCEROL-MYRISTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCERYL TRIMYRISTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCERYL TRIPALMITATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCOCHENODEOXYCHOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCOCHOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCOLALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYCOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GLYOXYLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GUAIACOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - GUANIDINOACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GUANIDINOSUCCINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GUANINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GUANOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GUANOSINE DIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GUANOSINE DIPHOSPHATE MANNOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GUANOSINE MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - GUANOSINE TRIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HEPTADECANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HEPTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HEXADECANOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - HEXANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HIPPURATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HISTAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HISTIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HISTIDINOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - HOMOCYSTEINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HOMOCYSTEINE THIOLACTONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HOMOCYSTINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HOMOGENTISATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HOMOSERINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HOMOVANILLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HYDROQUINONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HYDROXYKYNURENINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HYDROXYPHENYLLACTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HYDROXYPYRUVATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HYPOTAURINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - HYPOXANTHINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INDOLE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INDOLE-3-ACETAMIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INDOLE-3-ACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INDOLE-3-ETHANOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - INDOLE-3-METHYL ACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INDOLE-3-PYRUVATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INDOLEACETALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INDOXYL SULFATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INOSINE 5'-DIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INOSINE MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INOSINE TRIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - INOSINE-MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ISOBUTYRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ISOCITRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ISOLEUCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ISOPENTENYL PYROPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ITACONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - KETOLEUCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - KYNURENATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - KYNURENINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LACTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LACTOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - L-ALANINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LANOSTEROL SampleType:Standard SUBJECT_SAMPLE_FACTORS - LAURATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LAUROYLCARNITINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - L-CARNITINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - L-DOPA SampleType:Standard SUBJECT_SAMPLE_FACTORS - LEUCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - L-GULONOLACTONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LINOLEATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LIOTHYRONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LIPOAMIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LITHOCHOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LITHOCHOLYLTAURINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - L-ORNITHINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - L-TRYPTOPHANAMIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LUMICHROME SampleType:Standard SUBJECT_SAMPLE_FACTORS - LYSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - LYXOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MALATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MALEAMATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MALEATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MALEIMIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MALONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MALTOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MANDELATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MANNITOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - MANNOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MANNOSE 6-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MELANIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - MELATONIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - MELIBIOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MENAQUINONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MERCAPTOPYRUVATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MESO-TARTRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MESOXALATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHIONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHIONINE SULFOXIMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHYGLUTARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHYL 4-AMINOBUTYRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHYL ACETOACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHYL GALACTOSIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHYL JASMONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHYL VANILLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHYLGUANIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHYLMALONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - METHYLTHIOADENOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MEVALOLACTONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MEVALONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MONOETHYLMALONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MONOMETHYLGLUTARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - MYOINOSITOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - MYRISTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N,N,N-TRIMETHYLLYSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N,N-DIMETHYL-1,4-PHENYLENEDIAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N,N-DIMETHYLARGININE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N,N-DIMETHYL-ARGININE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N1-ACETYLSPERMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N6-(DELTA2-ISOPENTENYL)-ADENINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLALANINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLASPARAGINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLASPARTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLCYSTEINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLGALACTOSAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLGLUCOSAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLGLUTAMATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLGLYCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLLEUCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLMANNOSAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLMETHIONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLNEURAMINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLPHENYLALANINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLPROLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLPUTRESCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLSERINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLSEROTONIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ACETYLTRYPTOPHAN SampleType:Standard SUBJECT_SAMPLE_FACTORS - NADP SampleType:Standard SUBJECT_SAMPLE_FACTORS - NADPH SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-ALPHA-ACETYLLYSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NERVONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-FORMYLGLYCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-FORMYL-L-METHIONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NICOTINAMIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NICOTINAMIDE MONONUCLEOTIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NICOTINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NICOTINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-METHYLASPARTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-METHYLGLUTAMATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - N-METHYLTRYPTAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NONANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NORADRENALINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NORLEUCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NORMETANEPHRINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NORSPERMIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - NORVALINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - O-ACETYLCARNITINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - O-ACETYLSERINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OLEATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OLEOYL-GLYCEROL SampleType:Standard SUBJECT_SAMPLE_FACTORS - OMEGA-HYDROXYDODECANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - O-PHOSPHOETHANOLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - O-PHOSPHOSERINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OPHTHALMATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OROTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - O-SUCCINYL-HOMOSERINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OXALATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OXALOACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OXALOMALATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OXOADIPATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OXOGLUTARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - OXOPROLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PALATINOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PALMITATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PALMITOLEATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PALMITOYLCARNITINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PANTOLACTONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PANTOTHENATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PARAXANTHINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PENTANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PETROSELINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHENETHYLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHENOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHENYL ACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHENYLACETALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHENYLACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHENYLALANINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHENYLETHANOLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHENYLPYRUVATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHOSPHOCREATINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHOSPHOENOLPYRUVATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHOSPHONOACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHOSPHORIBOSYL PYROPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHOSPHORYLCHOLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHOSPHOSERINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - P-HYDROXYPHENYLACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHYLLOQUINONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PHYTATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PICOLINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PIPECOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - P-OCTOPAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PREGNENOLONE SULFATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PRENOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - PROLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PROPANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PROPIONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PROTOPORPHYRIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - PSICOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PTERIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - PURINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PUTRESCINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYRAZOLE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYRIDOXAL SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYRIDOXAL-PHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYRIDOXAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYRIDOXINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYRIMIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYROCATECHOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYROGLUTAMATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYRROLE-2-CARBOXYLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYRUVATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - PYRUVIC ALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - QUINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - QUINOLINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - QUINOLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - RAFFINOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - RESORCINOL MONOACETATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - RETINOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - RETINOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - RETINYL PALMITATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - RHAMNOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - RIBITOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - RIBOFLAVIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - RIBOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - RIBOSE 1,5-BISPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - ROSMARINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SACCHARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - S-ADENOSYLHOMOCYSTEINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - S-ADENOSYLMETHIONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SALICYLAMIDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SALICYLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SALSOLINOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - SARCOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - S-CARBOXYMETHYLCYSTEINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SEBACATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SELENOCYSTAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SELENOMETHIONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SERINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SEROTONIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - S-HEXYL-GLUTATHIONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SHIKIMATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SORBATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SORBITOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - SORBOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SPERMIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SPERMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SPHINGANINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SPHINGOMYELIN SampleType:Standard SUBJECT_SAMPLE_FACTORS - SQUALENE SampleType:Standard SUBJECT_SAMPLE_FACTORS - STACHYOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - STEARATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SUBERATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SUCCINATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SUCCINATE SEMIALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - SUCROSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TAGATOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TARTRATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TAURINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TETRAHYDROFOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THEOBROMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THEOPHYLLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THIAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THIAMINE MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THIAMINE PYROPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THIOPURINE S-METHYLETHER SampleType:Standard SUBJECT_SAMPLE_FACTORS - THIOUREA SampleType:Standard SUBJECT_SAMPLE_FACTORS - THREONINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THYMIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THYMIDINE-MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THYMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THYROTROPIN RELEASING HORMONE SampleType:Standard SUBJECT_SAMPLE_FACTORS - THYROXINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRANS-4-HYDROXY-L-PROLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRANS-ACONITATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRANS-CINNAMALDEHYDE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRANS-CINNAMATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRANS-CYCLOHEXANEDIOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - TREHALOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRICOSANOATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRIGONELLINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRIMETHYLAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRYPTAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TRYPTOPHAN SampleType:Standard SUBJECT_SAMPLE_FACTORS - TYRAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - TYROSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URACIL SampleType:Standard SUBJECT_SAMPLE_FACTORS - URACIL 5-CARBOXYLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - UREIDOPROPIONATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URIDINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URIDINE 5'-DIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URIDINE DIPHOSPHATE GLUCOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URIDINE DIPHOSPHATE GLUCURONIC ACID SampleType:Standard SUBJECT_SAMPLE_FACTORS - URIDINE DIPHOSPHATEGALACTOSE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URIDINE MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URIDINE TRIPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - UROCANATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - URSODEOXYCHOLATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - VALINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - VITAMIN D2 SampleType:Standard SUBJECT_SAMPLE_FACTORS - XANTHINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - XANTHOSINE SampleType:Standard SUBJECT_SAMPLE_FACTORS - XANTHOSINE-MONOPHOSPHATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - XANTHURENATE SampleType:Standard SUBJECT_SAMPLE_FACTORS - XYLITOL SampleType:Standard SUBJECT_SAMPLE_FACTORS - XYLOSE SampleType:Standard #COLLECTION CO:COLLECTION_SUMMARY No Biological Samples, Samples were obtained as analytical standards from Sigma CO:COLLECTION_SUMMARY Aldrich supplied by IROA technologies. CO:SAMPLE_TYPE N/a #TREATMENT TR:TREATMENT_SUMMARY Samples were diluted with 1:9 MeOH/Water and analyzed with IM-MS by direct TR:TREATMENT_SUMMARY injection. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Library of analytical standards. Standards were diluted with 1:9 MeOH/Water and SP:SAMPLEPREP_SUMMARY analyzed by IM-MS with direct injection. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY No LC used. CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME None CH:COLUMN_NAME none #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6560 Ion Mobility MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_TEMPERATURE 300 C MS:CAPILLARY_VOLTAGE 3500 V MS:COLLISION_ENERGY 0 V MS:DRY_GAS_FLOW 8 L/min MS:DRY_GAS_TEMP 250 C MS:ION_SOURCE_TEMPERATURE 300 C MS:MS_RESULTS_FILE ST001030_AN001690_Results.txt UNITS:Exact mass, m/z #END