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Analysis: MS negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME01877494141C05284--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME0187756238C01176--
17BETA-HYDROXYANDROSTAN-3-ONE5beta-DihydrotestosteroneME01877610635C03917--
1-HYDROXY-2-NAPHTHOATE1-Hydroxy-2-naphthoateME0187736844C03203--
2,3-DIPHOSPHO-D-GLYCERIC ACID2,3-Diphosphoglyceric acidME018777186004C01159--
2`,4`-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME0187826990C03663--
(2-AMINOETHYL)PHOSPHONATECiliatineME018770339C03557--
2`-DEOXYADENOSINEDeoxyadenosineME01878313730C00559--
2`-DEOXYURIDINE 5`-TRIPHOSPHATEUTPME0187846133C00460--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME01877811266C05984--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME01877911914C01983--
2-HYDROXYQUINOLINE2-HydroxyquinolineME0187806038C06338--
2-METHYLMALEATECitraconic acidME018781643798C02226--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME018786873C01198--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME01878572C00230--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME0187879378C03672--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME0187939903C03990--
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATEDehydroepiandrosterone sulfateME01879412594C04555--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME0187881662C03761--
3-HYDROXYBENZALDEHYDE3-HydroxybenzaldehydeME018789101C03067--
3-HYDROXYBENZYL ALCOHOL3-Hydroxybenzyl alcoholME018790102C03351--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME0187919307CA1364--
3-NITRO-L-TYROSINENitrotyrosineME018792235719CA1195--
4-AMINOBENZOATEP-Aminobenzoic acidME018795978C00568--
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDKynurenic acidME0187963845C01717--
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME018798126C00633--
4-HYDROXY-L-PHENYLGLYCINE4-HydroxyphenylglycineME01879736143CA1445--
4-HYDROXYPHENYLACETATEp-Hydroxyphenylacetic acidME018799127C00642--
4-METHYL-2-OXO-PENTANOIC ACIDKetoleucineME01880070C00233--
4-PYRIDOXATE4-Pyridoxic acidME0188016723C00847--
5,6-DIHYDROURACILDihydrouracilME018802649C00429--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME018803200CA1116--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME018804137C00430--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME0188051826C05635--
5-METHYLCYTOSINE5-MethylcytosineME01880665040C02376--
5-OXO-PROLINEPyroglutamic acidME018807499C01879--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME01880891493C00345--
ADENOSINEAdenosineME01880960961C00212--
ADIPIC ACIDAdipic acidME018810196CA1042--
ALDOSTERONEAldosteroneME0188115839C01780--
ALPHA-KETO-GLUTARATEOxoglutaric acidME01881251C00026--
AMINOHEXANOIC ACIDAminocaproic acidME018813564CA1502--
AMINOHYDROXYBUTANOIC ACID-ME018814-CA1508--
AMINOPENTANOIC ACID-ME018815-CA1501--
ARACHIDIC ACIDArachidic acidME01881610467C06425--
ARACHIDONATEArachidonic acidME018817444899C00219--
ARGININEArginineME0188186322C02385--
ASPARAGINEAsparagineME0188196267C16438--
ASPARTATEAspartic acidME0188205960C16433--
AZELAIC ACIDAzelaic acidME0188212266C08261--
BEHENIC ACIDBehenic acidME0188228215C08281--
BENZOATEBenzoic acidME018823243C00180--
BILIVERDINBiliverdinME0188255280353C00500--
BIOTINBiotinME018826171548C00120--
BOC-ALA-OH-ME01882785082CA1333--
BOC-ASN-ME01882882035---
BOC-ASN-OH-ME01882982035C01410--
BOC-ASP-OH-ME018830302432CA1350--
BOC-HIS-OH-ME01883187308CA1336--
BOC-PHE-OH-ME01883277857CA1334--
BOC-PRO-OH-ME01883385083CA1335--
BUTANOATEButyric acidME01883420975673C00246--
[C13] METHIONINEMethionineME0194246137C01733--
[C13] PHENYLALANINEPhenylalanineME0194256140C02057--
[C13] TYROSINETyrosineME0194266057C01536--
[C13] VALINEValineME0194276287C00719--
CAPRYLIC ACIDCaprylic acidME018835379C06423--
CATECHOLPyrocatecholME018836289C00090--
CHENODEOXYCHOLATEChenodeoxycholic acidME01883710133C02528--
CHOLATECholic acidME018838221493C00695--
CHOLESTEROL SULFATECholesterol sulfateME01883965076CA1523--
CHOLINE PHOSPHATECholine phosphateME018840135437C00588--
CIS-11-EICOSENOIC ACIDcs-Gondoic acidME0188415282768CA1166--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME0188425497181CA1260--
CITRATECitric acidME018843311C00158--
CITRULLINECitrullineME0188449750C00327--
CORTICOSTERONECorticosteroneME0188455753C02140--
CREATINECreatineME018846586C00300--
CREATININECreatinineME018847588C00791--
CYCLOHEPTANECARBOXYLIC ACIDCycloheptanecarboxylic acidME01884815091C12104--
CYS-GLYCys-GlyME018849439498C01419--
CYSTEIC ACIDCysteic acidME01885072886C00506--
CYSTINECystineME018851595C01420--
CYTIDINE 5`-DIPHOSPHATECDPME0188526132C00112--
DECANOATECapric acidME0188532969C01571--
DEHYDROASCORBATEDehydroascorbic acidME018854210328C00425--
DEOXYCORTICOSTERONE ACETATEDeoxycorticosterone acetateME0188555952C14554--
DEOXYRIBOSE2-Deoxy-riboseME0188569828112C01801--
DETHIOBIOTINDethiobiotinME018857445027C01909--
DIETHYLSTILBESTROLDiethylstilbestrolME018858448537C07620--
DIHEXOSE-ME018859-CA1495--
DIMETHYLXANTHINE-ME018860185974CA1507--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME018861445580C06429--
ESTRONEEstroneME0188625870C00468--
FERULATEtrans-Ferulic acidME018863445858C01494--
FORMYL-L-METHIONINEN-FormylmethionineME0188646995182C03145--
FUMARIC ACIDFumaric acidME018865444972C00122--
GLUCARIC ACIDGlucaric acidME01886633037C00818--
GLUCURONOLACTONEGlucuronolactoneME018867439782C02670--
GLUTAMIC ACIDGlutamic acidME01886833032C00302--
GLUTAMINEGlutamineME0188695961C00303--
GLUTARATEGlutaric acidME018870743C00489--
GLYCERIC ACIDGlyceric acidME018871439194C00258--
GLYCOCHOLATEGlycocholic acidME01887210140C01921--
GUANIDINOACETATEGuanidoacetic acidME018873763C00581--
GUANOSINEGuanosineME0188746802C00387--
HEPTANOIC ACIDHeptylic acidME0188758094CA1393--
HEXACOSANOIC ACIDCerotic acidME01887610469CA1352--
HEXANOATECaproic acidME0188778892C01585--
HEXURONIC ACIDHexuronic acidME018878152867CA1503--
HIPPURATEHippuric acidME018879464C01586--
HISTIDINEHistidineME0188806274C00768--
HOMOCYSTEINEHomocysteineME018881778C05330--
INDICANIndicanME01888292769C08481--
INDOLE-3-ACETIC ACIDIndoleacetic acidME018883802C00954--
INOSINEInosineME0188846021C00294--
ISOLEUCINEIsoleucineME0188856306C16434--
KYNURENINEKynurenineME018886161166C01718--
LAURIC ACIDLauric acidME0188873893C02679--
LAUROYLCARNITINECAR(12:0)ME01888810427569CA1406--
LIGNOCERIC ACIDLignoceric acidME01888911197C08320--
LINOLEATELinoleic acidME0188905280450C01595--
MALATEMalic acidME018891222656C00711--
MELATONINMelatoninME018892896C01598--
MENAQUINONEMenaquinoneME0188935280374C00828--
METHIONINEMethionineME0188946137C01733--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME01889594214C03619--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME01889674706CA1231--
METHYL VANILLATEMethyl vanillateME01889719844C06672--
MYO-INOSITOLMyo-inositolME018898892C00137--
MYRISTIC ACIDMyristic acidME01889911005C06424--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME01890170914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME018902448580CA1210--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME01890365065CA1200--
N-ACETYL-L-LEUCINEN-AcetylleucineME01890475619C02710--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME01890574839C03519--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME018906439197C00270--
N-ACETYLSEROTONINN-AcetylserotoninME018907903C00978--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME01890892907CA1219--
N-AMIDINO-L-ASPARTATEGuanidinosuccinic acidME018909439918C03139--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME01891014349C03710--
NERVONIC ACIDNervonic acidME0189125281120C08323--
N-FORMYLGLYCINEN-FormylglycineME01891175606CA1268--
NONANOATEPelargonic acidME0189138158C01601--
NORADRENALINEXi-NorepinephrineME018914951C00547--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME01890064969C01152--
OLEATEOleic acidME018915445639C00712--
OROTIDINE 5`-MONOPHOSPHATEOrotidylic acidME018916160617C01103--
OXALATEOxalic acidME018917971C00209--
PALMITIC ACIDPalmitic acidME018919985C00249--
PALMITOLEIC ACIDPalmitoleic acidME018920445638C08362--
PANTOTHENIC ACIDPantothenic acidME018921988C00864--
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME01891885681CA1463--
PENTANOATEValeric acidME0189227991C00803--
PENTITOLArabitolME018923827CA1511--
PHENYLACETALDEHYDEPhenylacetaldehydeME018924998C00601--
PHENYLACETIC ACIDPhenylacetic acidME018925999C07086--
PHENYLALANINEPhenylalanineME0189266140C02057--
PHENYLPYRUVATEPhenylpyruvic acidME018927997C00166--
PHOSPHATEPhosphoric acidME0189281004C00009--
PIPECOLATEPipecolic acidME018929849C00408--
PREGNENOLONEPregnenoloneME0189308955C01953--
PROGESTERONEProgesteroneME0189315994C00410--
PROLINEProlineME018932145742C16435--
PURINEPurineME0189331044C00465--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME0189341066C03722--
PYRIDOXALPyridoxalME0189351050C00250--
PYRUVATEPyruvic acidME0189361060C00022--
RAFFINOSERaffinoseME018937439242C00492--
RETINOATERetinoic acidME018939444795C00777--
RIBOFLAVINRiboflavinME018940493570C00255--
RIBOSE 5-PHOSPHATERibose 5-phosphateME018941439167C00117--
ROSMARINIC ACIDRosmarinic acidME0189425281792C10489--
SALICYLAMIDESalicylamideME0189445147CA1193--
SALICYLIC ACIDSalicylic acidME018945338CA1067--
S-CARBOXYMETHYL-L-CYSTEINES-Carboxymethyl-cysteineME018943193653C03727--
(S)-DIHYDROOROTATE4,5-Dihydroorotic acidME018771648C00337--
SELENOMETHIONINESelenomethionineME01894615103C05335--
SERINESerineME0189475951C00716--
(S)-LACTATELactic acidME018772107689C00186--
STEARATEStearic acidME0189485281C01530--
SUCCINATESuccinic acidME0189491110C00042--
TAURINETaurineME0189501123C00245--
TESTOSTERONETestosteroneME0189516013C00535--
THYROTROPIN RELEASING HORMONEThyrotropin releasing hormoneME018952638678C03958--
THYROXINEThyroxineME0189535819C01829--
TRICOSANOIC ACIDTricosanoic acidME01895417085CA1269--
TRYPTOPHANTryptophanME0189556305C00806--
TRYPTOPHANAMIDETryptophanamideME018956439356C00977--
URACILUracilME0194201174C00106--
URATEUric acidME0194211175C00366--
URSODIOLUrsodeoxycholic acidME01942231401C07880--
XANTHINEXanthineME0194231188C00385--


Analysis: MS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-HYDROXYDECANOATE10-Hydroxydecanoic acidME01943274300C02774--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME01943394141C05284--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME01943494141C05284--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME01943594141C05284--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME01942916219892CA1375--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME01943679034C08317--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME0194376238C01176--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME0194386238C01176--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME0194396238C01176--
1-METHYLADENOSINE1-MethyladenosineME01943027476C02494--
1-OLEOYL-RAC-GLYCEROLMG 18:1ME0194315319879CA1373--
2,3-DIAMINOPROPIONIC ACID2,3-Diamino-propionic acidME019440364C03401--
2,3-DIAMINOPROPIONIC ACID2,3-Diamino-propionic acidME019441364C03401--
2,4-DIHYDROXYPTERIDINELumazineME01944210250C03212--
2,5-DIMETHYLPYRAZINE2,5-DimethylpyrazineME01944331252CA1233--
25-HYDROXYCHOLESTEROL25-HydroxycholesterolME01945753477807C15519--
2,6-DIHYDROXYPYRIDINE2,6-DihydroxypyridineME01944469371C03056--
2,6-DIHYDROXYPYRIDINE2,6-DihydroxypyridineME01944569371C03056--
2-AMINO-2-DEOXYHEXOPYRANOSE-ME019446739CA1504--
2-AMINO-2-DEOXYHEXOPYRANOSE-ME019447739CA1504--
(2-AMINOETHYL)PHOSPHONATECiliatineME019428339C03557--
2-AMINOPHENOL2-AminophenolME0194485801C01987--
2`-DEOXYADENOSINEDeoxyadenosineME01945813730C00559--
2`-DEOXYADENOSINE 5`-DIPHOSPHATEdADPME019459188966C00206--
2`-DEOXYADENOSINE 5`-MONOPHOSPHATEdUMPME01946012599C00360--
2`-DEOXYADENOSINE 5`-MONOPHOSPHATEdUMPME01946112599C00360--
2`-DEOXYCYTIDINEDeoxycytidineME01946213711C00881--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME019463150855C00705--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME019464150855C00705--
2`-DEOXYCYTIDINE 5`-MONOPHOSPHATEdCMPME01946513945C00239--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME019449439268C00586--
2`-DEOXYGUANOSINEDeoxyguanosineME019466187790C00330--
2`-DEOXYGUANOSINEDeoxyguanosineME019467187790C00330--
2`-DEOXYGUANOSINEDeoxyguanosineME019468187790C00330--
2`-DEOXYGUANOSINE 5`-DIPHOSPHATEdGDPME019469439220C00361--
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATEdGMPME01947065059C00362--
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATEdGMPME01947165059C00362--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME01945011266C05984--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME01945111266C05984--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME01945211914C01983--
2-HYDROXYPYRIDINE2-HydroxypyridineME0194538871C02502--
2-METHYLGLUTARIC ACID2-Methylglutaric acidME01945412046CA1107--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME0194557124C06325--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME0194567124C06325--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME019483873C01198--
3,3`,5-TRIIODO-L-THYRONINELiothyronineME0194725920C02465--
3,3`,5-TRIIODO-L-THYRONINELiothyronineME0194735920C02465--
3,3`-DITHIODIVALINE3,3'-DithiodivalineME019474258527CA1489--
3,3`-DITHIODIVALINE3,3'-DithiodivalineME019475258527CA1489--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME01947772C00230--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME01947872C00230--
3,4-DIHYDROXY-L-PHENYLALANINEDOPAME0194766047C00355--
3,4-DIHYDROXYPHENYLACETATE3,4-Dihydroxybenzeneacetic acidME019480547C01161--
3,4-DIHYDROXYPHENYL GLYCOL3,4-DihydroxyphenylglycolME01947991528CA1222--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME0194849378C03672--
3-(4-HYDROXYPHENYL)PYRUVATE4-Hydroxyphenylpyruvic acidME019485979C01179--
3,5-DIIODO-L-THYRONINE3,5-DiiodothyronineME019481123675CE6369--
3,5-DIIODO-L-TYROSINE3,5-Diiodo-L-tyrosineME0194829305C01060--
3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-...TetrahydrocortisolME0194865864CA1235--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME0195009903C03990--
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE3beta-Hydroxy-5alpha-pregnan-20-oneME01950192787CA1234--
3`-CMP3'-CMPME01950266535C05822--
3-DEHYDROCARNITINE3-DehydrocarnitineME0194876991982C02636--
3`-DEPHOSPHO COA3'-Dephospho-CoAME019503444485C00882--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME0194881662C03761--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME0194891662C03761--
3-HYDROXYBENZALDEHYDE3-HydroxybenzaldehydeME019491101C03067--
3-HYDROXYBUTANOIC ACID3-Hydroxybutyric acidME019492441C01089--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME01949089C02794--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME0194939307CA1364--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME0194949307CA1364--
3-METHOXYTYRAMINE3-MethoxytyramineME0194951669C05587--
3-METHYL-2-OXINDOLE3-MethyloxindoleME019496150923CA1325--
3-METHYLADENINE3-MethyladenineME0194971673C00913--
3-PHOSPHOGLYCERIC ACID3-Phosphoglyceric acidME019498724C00597--
3-UREIDOPROPIONIC ACIDUreidopropionic acidME019499111CA1202--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME01950418189C02946--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME01950518189C02946--
4-AMINOBENZOATEP-Aminobenzoic acidME019506978C00568--
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME01950765138CA1491--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME019508500C01035--
4-HYDROXY-3-METHOXYMANDELICVanillylmandelic acidME019509736172C05584--
4-HYDROXY-3-METHOXYPHENYLGLYCOLVanylglycolME01951010805CA1410--
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME01951196215C02835--
4-METHYL-2-OXOPENTANOATEKetoleucineME01951270C00233--
4-METHYLCATECHOL4-MethylcatecholME0195139958C06730--
4-NITROCATECHOL4-NitrocatecholME0195143505109C02235--
4-PYRIDOXATE4-Pyridoxic acidME0195156723C00847--
5ALPHA-PREGNANE-3,20-DIONE5alpha-Pregnane-3,20-dioneME01952792810C03681--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME01951665110C04677--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME019517137C00430--
5`-DEOXYADENOSINE5'-DeoxyadenosineME019528439182C05198--
5`-DEOXYADENOSINE5'-DeoxyadenosineME019529439182C05198--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME0195201826C05635--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME0195211826C05635--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME019518439280C01017--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME019519439280C00643--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME01952278168C03088--
5-HYDROXYPENTANOIC ACID5-Hydroxyvaleric acidME01952325945C02804--
5-METHYLCYTOSINE5-MethylcytosineME01952465040C02376--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME019530439176C00170--
5-OXO-PROLINEPyroglutamic acidME019525499C01879--
5-VALEROLACTONE5-ValerolactoneME01952610953C02240--
6,7-DIHYDROBIOPTERIN4a-Carbinolamine tetrahydrobiopterinME019531133246C00268--
6-HYDROXYDOPAMINE6-HydroxydopamineME0195324624CA1404--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME01953391493C00345--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME01953491493C00345--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME01953591493C00345--
7-AMINOCEPHALOSPORANIC ACID7-Aminocephalosporanic acidME019536441328C07756--
ACETOACETATEAcetoacetic acidME01953796C00164--
ADENINEAdenineME019538190C00147--
ADENOSINEAdenosineME01953960961C00212--
ADENOSINEAdenosineME01954060961C00212--
ADENOSINE 2`,3`-CYCLIC MONOPHOSPHATE2',3' cyclic AMPME019541101812CA1486--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME0195426076C00575--
ADENOSINE 5`-MONOPHOSPHATEAMPME0195436083C00020--
ADENOSINE 5`-TRIPHOSPHATEATPME0195445957C00002--
ADENOSINE DIPHOSPHATEADPME0195456022CA1496--
ADPGLUCOSEADP-glucoseME01954816500C00498--
ADPGLUCOSEADP-glucoseME01954916500C00498--
ADP-RIBOSEADP-riboseME019546192C00301--
ADP-RIBOSEADP-riboseME019547192C00301--
ALANINEAlanineME0195505950C01401--
ALLANTOINAllantoinME019551204C01551--
ALPHA-TOCOPHEROLalpha-TocopherolME01955214985C02477--
ALPHA-TOCOPHEROLalpha-TocopherolME01955314985C02477--
AMINOBUTANOIC ACIDgamma-Aminobutyric acidME019554119CA1498--
AMINOHYDROXYBENZOIC ACID-ME019555-CA1514--
AMINOHYDROXYBUTANOIC ACID-ME019556-CA1508--
ANILINEAnilineME0195576115C00292--
ANTHRANILATE2-Aminobenzoic acidME019558227C00108--
ARGININEArginineME0195606322C02385--
ARG-VAL-TRPArg-Val-TrpME019559-CA1890--
ASCORBATEVitamin CME01956154670067C00072--
ASCORBATEVitamin CME01956254670067C00072--
ASPARAGINEAsparagineME0195636267C16438--
ASPARAGINEAsparagineME0195646267C16438--
ASPARTATEAspartic acidME0195655960C16433--
AZELAIC ACIDAzelaic acidME0195662266C08261--
B-ALANYL-N(PAI)-METHYL-L-HISTIDINEAnserineME019567112072C01262--
BENZOINBenzoinME0195688400C01408--
BETAINEBetaineME019569247C00719--
BILIVERDINBiliverdinME0195705280353C00500--
BILIVERDINBiliverdinME0195715280353C00500--
BILIVERDINBiliverdinME0195725280353C00500--
BILIVERDINBiliverdinME0195735280353C00500--
BIOTINBiotinME019574171548C00120--
BIOTINBiotinME019575171548C00120--
BIOTINBiotinME019576171548C00120--
BIS(2-ETHYLHEXYL)PHTHALATEbis(2-Ethylhexyl)phthalic acidME0195778343C03690--
BIS(2-ETHYLHEXYL)PHTHALATEbis(2-Ethylhexyl)phthalic acidME0195788343C03690--
BIS(2-ETHYLHEXYL)PHTHALATEbis(2-Ethylhexyl)phthalic acidME0195798343C03690--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME019580186004C01159--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME019581186004C01159--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME019582186004C01159--
BIURETBiuretME0195837913C06555--
BOC-ALA-OH-ME01958485082CA1333--
BOC-ASP-OH-ME019585302432CA1350--
BOC-GLY-OH-ME01958678288CA1201--
BOC-HIS-OH-ME01958787308CA1336--
BOC-HIS-OH-ME01958887308CA1336--
BOC-HIS-OH-ME01958987308CA1336--
BOC-LYS-OH-ME0195907018769CA1424--
BOC-LYS-OH-ME0195917018769CA1424--
BOC-LYS-OH-ME0195927018769CA1424--
BOC-PRO-OH-ME01959385083CA1335--
CAFFEIC ACIDCaffeic acidME0195941549111C01481--
CAFFEINECaffeineME0195952519C07481--
CAFFEINECaffeineME0195962519C07481--
CAPECITABINECapecitabineME01959760953C12650--
CAPECITABINECapecitabineME01959860953C12650--
CAPECITABINECapecitabineME01959960953C12650--
CARNOSINECarnosineME019600439224C00386--
CHOLESTA-5,7-DIEN-3BETA-OL7-DehydrocholesterolME019601439423C01164--
CHOLESTA-5,7-DIEN-3BETA-OL7-DehydrocholesterolME019602439423C01164--
CHOLESTEROLCholesterolME0196035997C00187--
CHOLIC ACIDCholic acidME019604221493C00695--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME0196055497181CA1260--
CITRAMALATECitramalic acidME0196061081C00815--
CITRAMALATECitramalic acidME0196071081C00815--
CITRATECitric acidME019608311C00158--
CITRATECitric acidME019609311C00158--
CITRULLINECitrullineME0196109750C00327--
CORTICOSTERONECorticosteroneME0196115753C02140--
CORTICOSTERONECorticosteroneME0196125753C02140--
CORTICOSTERONECorticosteroneME0196135753C02140--
CORTISOLCortisolME0196145754C00735--
CORTISOLCortisolME0196155754C00735--
CORTISOLCortisolME0196165754C00735--
CORTISOL 21-ACETATECortisol 21-acetateME0196175744C02821--
CORTISOL 21-ACETATECortisol 21-acetateME0196185744C02821--
CORTISONECortisoneME019619222786C00762--
CORTISONECortisoneME019620222786C00762--
CORTISONECortisoneME019621222786C00762--
CREATINECreatineME019622586C00300--
CREATININECreatinineME019623588C00791--
CREATININE FROM COMPLEXCreatinineME019624588C00791--
CYCLOHEX-1-ENECARBOXYLIC ACIDCyclohex-1-enecarboxylic acidME01962569470C12101--
CYCLOHEXANE-1,3-DIONECyclohexane-1,3-dioneME01962610434C01066--
CYCLOHEXANE-1,3-DIONECyclohexane-1,3-dioneME01962710434C01066--
CYCLOHEXYLAMINECyclohexylamineME0196287965C00571--
CYS-GLY, OXIDIZED-ME019629333293CA1248--
CYSTAMINECystamineME0196302915CA1487--
CYSTATHIONINECystathionineME019631439258C00542--
CYSTEIC ACIDCysteic acidME01963272886C00506--
CYSTINECystineME019633595C01420--
CYSTINECystineME019634595C01420--
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)2',3' cyclic CMPME01963568934C02354--
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)2',3' cyclic CMPME01963668934C02354--
CYTIDINE 5`-DIPHOSPHATECDPME0196376132C00112--
CYTIDINE 5`-DIPHOSPHATECDPME0196386132C00112--
CYTIDINE 5`-DIPHOSPHOCHOLINECytidine 5'-diphosphocholineME01963913804C00307--
CYTIDINE 5`-DIPHOSPHOCHOLINECytidine 5'-diphosphocholineME01964013804C00307--
CYTIDINE 5`-MONOPHOSPHATECMPME0196416131C00055--
CYTIDINE 5`-MONOPHOSPHATECMPME0196426131C00055--
CYTIDINE 5`-TRIPHOSPHATECTPME0196436176C00063--
CYTOSINECytosineME019644597C00380--
CYTOSINECytosineME019645597C00380--
DEHYDROASCORBATEDehydroascorbic acidME019646210328C00425--
DEOXYCARNITINE3-DehydroxycarnitineME019647725CA1059--
DEOXYCHOLATEDeoxycholic acidME019648222528C04483--
DEOXYCHOLATEDeoxycholic acidME019649222528C04483--
DEOXYCORTICOSTERONE11-DeoxycorticosteroneME0196506166C14554--
DEOXYCORTICOSTERONE11-DeoxycorticosteroneME0196516166C14554--
DEOXYCORTICOSTERONE11-DeoxycorticosteroneME0196526166C14554--
DEOXYRIBOSE2-Deoxy-riboseME0196539828112C01801--
DEOXYURIDINEDeoxyuridineME01965413712C00526--
DETHIOBIOTINDethiobiotinME019655445027C01909--
DETHIOBIOTINDethiobiotinME019656445027C01909--
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)-ME019659-UP0027--
DIACYLGLYCEROPHOSPHOGLYCEROL (POSSIBLY)-ME019661-UP0037--
DIACYL-PHOSPHATIDYLCHOLINE-ME019660-UP0012--
DIETHANOLAMINEDiethanolamineME0196628113C06772--
DIETHYL AMINOMALONATEDiethyl aminomalonateME01966381272CA1488--
DIHEXOSE-ME019664-CA1495--
DIHYDROFOLATEDihydrofolic acidME01966598792C00415--
DIHYDROFOLATEDihydrofolic acidME01966698792C00415--
DIHYDROFOLATEDihydrofolic acidME01966798792C00415--
DIHYDROOROTATE4,5-Dihydroorotic acidME019668648C00337--
DIHYDROOROTATE4,5-Dihydroorotic acidME019669648C00337--
DIHYDROOROTATE4,5-Dihydroorotic acidME019670648C00337--
DIHYDROOROTATE4,5-Dihydroorotic acidME019671648C00337--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)-ME019657-UP0002--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (PROBABLY)-ME019658-UP0013--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME019674675C03114--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME019675675C03114--
DIMETHYL MALEATEDimethyl maleateME01967212215CA1310--
DIMETHYL MALEATEDimethyl maleateME01967312215CA1310--
DIMETHYLXANTHINE-ME019676185974CA1507--
DIOLEOYLPHOSPHATIDYLCHOLINE-ME0196776437081Z02138--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME019678445580C06429--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME019679445580C06429--
DOPAMINEDopamineME019680681C03758--
ENKEPHALINE, (D-ALA)2-LEU-ME019681-CA1037--
EPINEPHRINEEpinephrineME0196825816C00788--
ERYTHRITOLErythritolME019683222285C00503--
ESTRADIOL 17 ALPHAEstradiol-17alphaME01968468570C02537--
ETHANOLAMINEEthanolamineME019685700C00189--
ETHYL 3-INDOLE ACETATE-ME019686-CA1213--
ETHYL 3-INDOLE ACETATE-ME019687-CA1213--
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME019688317638CA1342--
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME019689317638CA1342--
FERULATEtrans-Ferulic acidME019690445858C01494--
FERULATEtrans-Ferulic acidME019691445858C01494--
FLAVIN ADENINE DINUCLEOTIDEFADME019692643975C00016--
FOLIC ACIDFolic acidME0196936037C00504--
FORMYL-L-METHIONINEN-FormylmethionineME0196946995182C03145--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME019695172313C00354--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME019696172313C00354--
GAMMA-BUTYROLACTONEgamma-ButyrolactoneME0196977302CA1420--
GLUCARIC/GULARIC/SACCHARIC ACID-ME019698607C00818--
GLUCONIC ACIDGluconic acidME01969910690C00257--
GLUCOSAMINATEGlucosaminic acidME01970073563C03752--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME019701439217C00352--
GLUTAMIC ACIDGlutamic acidME01970233032C00302--
GLUTAMINEGlutamineME0197035961C00303--
GLUTAMINEGlutamineME0197045961C00303--
GLUTARATEGlutaric acidME019705743C00489--
GLUTARATEGlutaric acidME019706743C00489--
GLUTATHIONEGlutathioneME019707124886C00127--
GLUTATHIONEGlutathioneME019708124886C00051--
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL-ME019709-CA1402--
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL-ME019710-CA1402--
GLYCERIC ACIDGlyceric acidME019711439194C00258--
GLYCEROL PHOSPHATEsn-Glycero-3-phosphateME019712439162CA1512--
GLYCEROL PHOSPHATEsn-Glycero-3-phosphateME019713439162CA1512--
GLYCINEGlycineME019714750C00037--
GLYCINEGlycineME019715750C00037--
GLYCOCHOLATEGlycocholic acidME01971610140C01921--
GLYCOCHOLATEGlycocholic acidME01971710140C01921--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME01971816219441CA1349--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME01971916219441CA1349--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME01972016219441CA1349--
GUANIDINOACETATEGuanidoacetic acidME019721763C00581--
GUANINEGuanineME019722764C00242--
GUANOSINEGuanosineME0197236802C00387--
GUANOSINEGuanosineME0197246802C00387--
GUANOSINE 5`-DIPHOSPHATEGDPME0197258977C00035--
GULONO-1,4-LACTONEGulono-1,4-lactoneME019726165105C05410--
HEXITOLSorbitolME019727453CA1510--
HEXOSEHexoseME019728206C01381--
HIPPURATEHippuric acidME019729464C01586--
HIPPURATEHippuric acidME019730464C01586--
HISTIDINEHistidineME0197316274C00768--
HISTIDINOLL-HistidinolME019732165271C00860--
HISTIDINOLL-HistidinolME019733165271C00860--
HOMOCYSTEINE THIOLACTONEL-Homocysteine thiolactoneME019734134505CA1198--
HOMOCYSTINEHomocystineME01973510010C01817--
HOMOGENTISATEHomogentisic acidME019736780C00544--
HOMOGENTISATEHomogentisic acidME019737780C00544--
HOMOSERINEHomoserineME01973812647C00263--
HYDROQUINONEHydroquinoneME019739785C00530--
HYDROXYBENZOIC ACID4-Hydroxybenzoic acidME019740135CA1517--
HYDROXYBENZOIC ACID4-Hydroxybenzoic acidME019741135CA1517--
HYDROXYPHENYLACETIC / MANDELIC ACID2-Hydroxyphenylacetic acidME01974211914CA1513--
HYPOXANTHINEHypoxanthineME019743790C00262--
HYPOXANTHINEHypoxanthineME019744790C00262--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME019745397C02693--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME019746397C02693--
INDOLE-3-ACETIC ACIDIndoleacetic acidME019747802C00954--
INDOLE-3-ACETIC ACIDIndoleacetic acidME019748802C00954--
INDOLE-3-ETHANOLTryptophanolME01974910685C00955--
INDOXYLIndoxylME01975050591C05658--
INOSINEInosineME0197516021C00294--
INOSINEInosineME0197526021C00294--
INOSINEInosineME0197536021C00294--
INOSINE 5`-DIPHOSPHATEIDPME0197546831C00104--
INOSINE 5`-MONOPHOSPHATEIMPME0197558582C00130--
ISOCITRIC ACIDIsocitric acidME0197561198C00311--
ISOLEUCINEIsoleucineME0197576306C16434--
KYNURENIC ACIDKynurenic acidME0197583845C01717--
KYNURENINEKynurenineME019759161166C01718--
LAUROYLCARNITINECAR(12:0)ME01976010427569CA1406--
LEUCENOLMimosineME019761440473C04771--
LEUCINELeucineME0197626106C16439--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME0197631549100C00666--
LUMICHROMELumichromeME0197645326566C01727--
LUMICHROMELumichromeME0197655326566C01727--
LYSINELysineME0197665962C16440--
MALATEMalic acidME019767222656C00711--
MALTOSEMaltoseME019768439186C00208--
MANNOSE-6-PHOSPHATEMannose 6-phosphateME019769439198C00275--
MANNOSE-6-PHOSPHATEMannose 6-phosphateME019770439198C00275--
MELATONINMelatoninME019771896C01598--
MELATONINMelatoninME019772896C01598--
METHIONINEMethionineME0197736137C01733--
METHIONINE SULFOXIMINEMethionine sulfoximineME01977416118C03510--
METHYL ACETOACETATEMethylacetoacetic acidME0197757757CA1265--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME01977674706CA1231--
METHYL JASMONATEMethyl jasmonateME0197775281929C11512--
METHYL JASMONATEMethyl jasmonateME0197785281929C11512--
METHYL PARABENMethylparabenME0197797456CA1357--
MEVALOLACTONE-ME019780-CA1091--
MONO-METHYL GLUTARATEMonomethyl glutaric acidME01978173917CA1015--
N1-ACETYLSPERMINEN1-AcetylspermineME019819916C02567--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-(delta2-Isopentenyl)-adenineME01982092180C04083--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-(delta2-Isopentenyl)-adenineME01982192180C04083--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-(delta2-Isopentenyl)-adenineME01982292180C04083--
N-ACETYL-D-GALACTOSAMINEN-Acetyl-D-galactosamineME01978535717C01132--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME01978624139CA1500--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME01978870914CA1454--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME01978970914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME019790448580CA1210--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME019791448580CA1210--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME019787439917C03137--
N-ACETYL-L-ALANINEN-AcetylalanineME01979288064CE1554--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME01979365065CA1200--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME01979412035CE1310--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME01979512035CE1310--
N-ACETYL-L-LEUCINEN-AcetylleucineME01979675619C02710--
N-ACETYL-L-LEUCINEN-AcetylleucineME01979775619C02710--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME01979874839C03519--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME01979974839C03519--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME01980074839C03519--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME019801439197C00270--
N-ACETYLPUTRESCINEN-AcetylputrescineME019802122356C02714--
N-ACETYLSEROTONINN-AcetylserotoninME019803903C00978--
N-ACETYLSEROTONINN-AcetylserotoninME019804903C00978--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME019805-CA1214--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME019806-CA1214--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME01980792907CA1219--
N-AMIDINO-L-ASPARTATEGuanidinosuccinic acidME019808439918C03139--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME01980913017C11519--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME01981013017C11519--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME0198117533CA1328--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME0198127533CA1328--
N-ETHYLMALEIMIDEN-EthylmaleimideME0198134362C02441--
NICOTINAMIDENiacinamideME019823936C00153--
NICOTINAMIDE ADENINE DINUCLEOTIDENAD+ME01982410897651C00003--
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDENicotinamide purin-6-ol-dinucleotideME019825440334C04423--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME01982614180C00455--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME01982714180C00455--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME01982814180C00455--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME019829123953C13051--
N-METHYLANILINEN-MethylanilineME0198147515C02299--
N,N-DIMETHYL-1,4-PHENYLENEDIAMINEN,N-Dimethyl-1,4-phenylenediamineME0197847472C04203--
N-NITROSODIETHANOLAMINEN-NitrosodiethanolamineME01981514223CA1477--
N-NITROSODIETHANOLAMINEN-NitrosodiethanolamineME01981614223CA1477--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME019783440120C03793--
N-OLEOYLGLYCINEN-Oleoyl glycineME0198176436908CA1254--
N-OLEOYLGLYCINEN-Oleoyl glycineME0198186436908CA1254--
NORMETANEPHRINENormetanephrineME0198301237CA1379--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME01978264969C01152--
O-ACETYL-L-CARNITINECAR 2:0ME0198311C02571--
O-ACETYL-L-CARNITINECAR 2:0ME0198321C02571--
OCTOPAMINEOctopamineME019836440266C04227--
OLEAMIDEOleamideME0198375283387CA1223--
OLEAMIDEOleamideME0198385283387CA1223--
OLEAMIDEOleamideME0198395283387CA1223--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME019833106CA1209--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME019834106CA1209--
OPHTHALMIC ACIDOphthalmic acidME0198407018721CA1475--
ORNITHINEOrnithineME0198416262C01602--
ORNITHINEOrnithineME0198426262C01602--
OROTATEOrotic acidME019843967C00295--
OROTIDINE 5`-MONOPHOSPHATEOrotidylic acidME019844160617C01103--
O-SUCCINYL-L-HOMOSERINEo-SuccinylhomoserineME019835439406C01118--
OXOMALONATEMesoxalic acidME01984510132C00830--
PANTOLACTONEPantolactoneME019848439368C01012--
PANTOLACTONEPantolactoneME019849439368C01012--
PANTOTHENIC ACIDPantothenic acidME019850988C00864--
PANTOTHENIC ACIDPantothenic acidME019851988C00864--
PARAOXON-METHYLParaoxon-methylME01985213708CA1476--
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME01984685681CA1463--
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME01984785681CA1463--
PENICILLAMINEPenicillamineME0198534727C07418--
PENTITOLArabitolME019854827CA1511--
PENTOPYRANOSEPentopyranoseME019855641630CA1493--
PHENETHYLAMINEPhenylethylamineME0198561001C05332--
PHENYLACETIC ACIDPhenylacetic acidME019857999C07086--
PHENYLACETIC ACIDPhenylacetic acidME019858999C07086--
PHENYLALANINEPhenylalanineME0198596140C02057--
PHENYLALANINEPhenylalanineME0198606140C02057--
PHENYLETHANOLAMINE2-HydroxyphenethylamineME0198611000C02735--
PHENYLHYDRAZINEPhenylhydrazineME0198627516C02304--
PHOSPHOCREATINEPhosphocreatineME019863587C02305--
PHOSPHOGLYCERIC ACIDPhosphoglyceric acidME019864724CA1497--
PHOSPHONOACETATEAcetylphosphateME019865546C05682--
PHOSPHONOACETATEAcetylphosphateME019866546C05682--
PHTHALATEPhthalic acidME0198671017C01606--
PIPECOLIC ACIDPipecolic acidME019868849C00408--
POSSIBLE L-LEUCYL-L-LEUCINE-ME019869-U03237--
PREGNENOLONEPregnenoloneME0198708955C01953--
PROGESTERONEProgesteroneME0198715994C00410--
PROLINEProlineME019872145742C16435--
PROMETRYNPrometrynME0198734929CA1277--
PROMETRYNPrometrynME0198744929CA1277--
PTERINPterinME01987573000C00715--
PTERINPterinME01987673000C00715--
PUTRESCINEPutrescineME0198771045C00134--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME0198791066C03722--
PYRIDINE CARBOXYLIC ACID-ME019878-CA1509--
PYRIDOXALPyridoxalME0198801050C00250--
PYRIDOXAMINEPyridoxamineME0198811052C00534--
PYRIDOXINEPyridoxineME0198821054C00314--
QUINATEQuinic acidME0198836508C00296--
QUINATEQuinic acidME0198846508C00296--
QUINATEQuinic acidME0198856508C00296--
QUINOLIN-2-OL2-HydroxyquinolineME0198866038C06338--
QUINOLIN-2-OL2-HydroxyquinolineME0198876038C06338--
RAFFINOSERaffinoseME019888439242C00492--
RETINALRetinalME019889638015C00376--
RETINALRetinalME019890638015C00376--
RETINOATERetinoic acidME019891444795C00777--
RETINOATERetinoic acidME019892444795C00777--
RETINOLRetinolME019893445354C00473--
RIBOFLAVINRiboflavinME019894493570C00255--
RIBOFLAVINRiboflavinME019895493570C00255--
RIBOSE 5-PHOSPHATERibose 5-phosphateME019896439167C00117--
RIBULOSE 1,5-BISPHOSPHATERibulose 1,5-bisphosphateME019897123658C01182--
ROSMARINIC ACIDRosmarinic acidME0198985281792C10489--
ROSMARINIC ACIDRosmarinic acidME0198995281792C10489--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME019901439155C00021--
S-ADENOSYL METHIONINES-AdenosylmethionineME01990034755C00019--
SALICYLIC ACIDSalicylic acidME019905338C00805--
SALSOLINOLSalsolinolME01990654456C09642--
SALSOLINOLSalsolinolME01990754456C09642--
S-CARBOXYMETHYL-CYSTEINES-Carboxymethyl-cysteineME019902193653C03727--
SERINESerineME0199085951C00716--
SEROTONINSerotoninME0199095202C00780--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME01990397536C02886--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME01990497536C02886--
SHIKIMATEShikimic acidME0199108742C00493--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME019911657272C00670--
SPERMIDINESpermidineME0199121102C00315--
SPERMINESpermineME0199131103C00750--
SPHINGANINESphinganineME01991491486C00836--
SPHINGOMYELINSM 18:0;O2/22:1ME01991553481362C00550--
SPHINGOMYELIN (CATION)SM 18:0;O2/22:1ME01991653481362C00550--
SQUALENESqualeneME0199175280370C00751--
STACHYOSEStachyoseME019918439531C01613--
SUBERIC ACIDSuberic acidME01991910457C08278--
TAURINETaurineME0199201123C00245--
TESTOSTERONETestosteroneME0199216013C00535--
THEOPHYLLINETheophyllineME0199222153C07130--
THIAMINE MONOPHOSPHATEThiamine monophosphateME0199233382778C01081--
THIAMINE MONOPHOSPHATEThiamine monophosphateME0199243382778C01081--
THIAMINE PYROPHOSPHATEThiamine diphosphateME0199251132C00068--
THIOPURINE S-METHYLETHER6-MethylthiopurineME0199265778C03542--
THIOPURINE S-METHYLETHER6-MethylthiopurineME0199275778C03542--
THYMIDINEThymidineME0199285789C00214--
THYMIDINE-5`-DIPHOSPHO-GLUCOSEdTDP-glucoseME019929443210C00842--
THYMINEThymineME0199301135C00178--
THYROXINEThyroxineME0199315819C01829--
THYROXINEThyroxineME0199325819C01829--
TRANS-CYCLOHEXANE-1,2-DIOLtrans-Cyclohexane-1,2-diolME01993392886C03739--
TRIGONELLINETrigonellineME0199345570C01004--
TRIGONELLINETrigonellineME0199355570C01004--
TRIMETHYLAMINETrimethylamineME0199361146C00565--
TRYPTAMINETryptamineME0199371150C00398--
TRYPTOPHANTryptophanME0199386305C00806--
TRYPTOPHANTryptophanME0199396305C00806--
TRYPTOPHANAMIDETryptophanamideME019940439356C00977--
TYROSINETyrosineME0199416057C01536--
URATEUric acidME0252931175C00366--
URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE-ME025294-CA1401--
UREAUreaME0252951176C00086--
UREAUreaME0252961176C00086--
URIDINEUridineME0252976029C00299--
URIDINEUridineME0252986029C00299--
URIDINEUridineME0252996029C00299--
URIDINE 5`-DIPHOSPHATEUDPME0253006031C00015--
URIDINE-5-MONOPHOSPHATEUMPME0253016030C00105--
UROCANATEUrocanic acidME0253021549103C00785--
URSODIOLUrsodeoxycholic acidME02530331401C07880--
VALINEValineME0253046287C16436--
VALINEValineME0253056287C16436--
VITAMIN D2Vitamin D2ME0253065280793C05441--
VITAMIN D2Vitamin D2ME0253075280793C05441--
VITAMIN D3Vitamin D3ME02530810883523C05443--
VITAMIN D3Vitamin D3ME02530910883523C05443--
XANTHINEXanthineME0253101188C00385--
XANTHOSINEXanthosineME02531164959C01762--
XANTHOSINE 5`-MONOPHOSPHATEXMPME02531273323C00655--


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