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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
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME03365794141C05284--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME03365316219892CA1375--
1,2-DIPALMITOYL-SN-GLYCEROLDG 16:0_16:0ME033654644078CA1156--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME03365879034C08317--
[13C]-ARGININEArginineME0378146322CA1719--
[13C]-ASPARTIC ACIDAspartic acidME0378155960CA1745--
[13C]-GLUTAMATEGlutamic acidME037816-CA1731--
[13C]-LEUCINELeucineME0378176106CA1831--
[13C]-LYSINELysineME0378185962CA1684--
[13C]-METHIONINEMethionineME0378196137CA1790--
[13C]-PHENYLALANINEPhenylalanineME0378206140CA1855--
[13C]-PROLINEProlineME037821145742CA1754--
[13C]-THREONINEThreonineME0378226288CA1727--
[13C]-TYROSINETyrosineME0378236057CA1825--
[13C]-VALINEValineME0378246287CA1779--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME0336596238C01176--
1-METHYLADENOSINE1-MethyladenosineME03365527476C02494--
1-OLEOYL-RAC-GLYCEROLMG 18:1ME0336565319879CA1373--
2-AMINOPHENOL2-AminophenolME0336605801C01987--
2`-DEOXYADENOSINEDeoxyadenosineME03366613730C00559--
2`-DEOXYADENOSINE 5`-DIPHOSPHATEdADPME033667188966C00206--
2`-DEOXYCYTIDINEDeoxycytidineME03366813711C00881--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME033669150855C00705--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME033661439268C00586--
2`-DEOXYGUANOSINEDeoxyguanosineME033670187790C00330--
2`-DEOXYGUANOSINEDeoxyguanosineME033671187790C00330--
2`-DEOXYGUANOSINEDeoxyguanosineME033672187790C00330--
2`-DEOXYGUANOSINE 5`-DIPHOSPHATEdGDPME033673439220C00361--
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATEdGMPME03367465059C00362--
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID2-Hydroxy-4-(methylthio)butanoic acidME03366211427CA1484--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME03366311914C01983--
2-METHYLGLUTARIC ACID2-Methylglutaric acidME03366412046CA1107--
2-METHYLMALEATECitraconic acidME033665643798C02226--
3,3`-DITHIODIVALINE3,3'-DithiodivalineME033675258527CA1489--
3,5-DIIODO-L-THYRONINE3,5-DiiodothyronineME033676123675CE6369--
3`-CMP3'-CMPME03368166535C05822--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME0336771662C03761--
3-HYDROXYANTHRANILATE3-Hydroxyanthranilic acidME03367886C00632--
3-METHYLADENINE3-MethyladenineME0336791673C00913--
3-UREIDOPROPIONIC ACIDUreidopropionic acidME033680111CA1202--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME03368218189C02946--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME03368318189C02946--
4-AMINOBENZOATEP-Aminobenzoic acidME033684978C00568--
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME03368565138CA1491--
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME03368665138CA1491--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME033687500C01035--
4-METHYL-2-OXOPENTANOATEKetoleucineME03368870C00233--
5`-DEOXYADENOSINE5'-DeoxyadenosineME033693439182C05198--
5`-DEOXYADENOSINE5'-DeoxyadenosineME033694439182C05198--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME0336901826C05635--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME0336911826C05635--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME033689439280C00643--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME033695439176C00170--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME033696439176C00170--
5-OXO-PROLINEPyroglutamic acidME033692499C01879--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME03369791493C00345--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME03369891493C00345--
ADENINEAdenineME033699190C00147--
ADENOSINEAdenosineME03370060961C00212--
ADENOSINEAdenosineME03370160961C00212--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME0337026076C00575--
ADENOSINE 5`-DIPHOSPHATEADPME0337036022C00008--
ADENOSINE 5`-MONOPHOSPHATEAMPME0337046083C00020--
ADENOSINE DIPHOSPHATEADPME0337056022CA1496--
ADP-RIBOSEADP-riboseME033706192C00301--
ALANINEAlanineME0337075950C01401--
ALLANTOINAllantoinME033708204C01551--
AMINOHYDROXYBENZOIC ACID-ME033709-CA1514--
AMINOHYDROXYBUTANOIC ACID-ME033710-CA1508--
ANDROSTERONEAndrosteroneME0337115879C00523--
ANTHRANILATE2-Aminobenzoic acidME033712227C00108--
ARGININEArginineME0337146322C02385--
ARG-VAL-TRPArg-Val-TrpME033713-CA1890--
ASCORBATEVitamin CME03371554670067C00072--
ASPARAGINEAsparagineME0337166267C16438--
ASPARAGINEAsparagineME0337176267C16438--
ASPARTATEAspartic acidME0337185960C16433--
BENZOINBenzoinME0337198400C01408--
BIOTINBiotinME033720171548C00120--
BIS(2-ETHYLHEXYL)PHTHALATEbis(2-Ethylhexyl)phthalic acidME0337218343C03690--
BIS(2-ETHYLHEXYL)PHTHALATEbis(2-Ethylhexyl)phthalic acidME0337228343C03690--
BIS(2-ETHYLHEXYL)PHTHALATEbis(2-Ethylhexyl)phthalic acidME0337238343C03690--
BOC-ALA (+NA)-ME033724-CA1333--
BOC-ALA-OH-ME03372585082CA1333--
BOC-ASN-ME03372682035C01410--
BOC-ASP-OH-ME033727302432CA1350--
BOC-HIS-OH-ME03372887308CA1336--
BOC-LYS-OH-ME0337297018769CA1424--
BOC-PHE-OH-ME03373077857CA1334--
CAFFEINECaffeineME0337312519C07481--
CAFFEINECaffeineME0337322519C07481--
CARNOSINECarnosineME033733439224C00386--
CITRAMALATECitramalic acidME0337341081C00815--
CITRATECitric acidME033735311C00158--
CITRATECitric acidME033736311C00158--
CORTICOSTERONECorticosteroneME0337375753C02140--
CORTISOL 21-ACETATECortisol 21-acetateME0337385744C02821--
CORTISOL 21-ACETATECortisol 21-acetateME0337395744C02821--
CORTISONECortisoneME033740222786C00762--
CREATINECreatineME033741586C00300--
CREATININECreatinineME033742588C00791--
CREATININE FROM COMPLEXCreatinineME033743588C00791--
CYSTEIC ACIDCysteic acidME03374472886C00506--
CYSTEINECysteineME033745594C00736--
CYSTINECystineME033746595C01420--
CYSTINECystineME033747595C01420--
CYTIDINECytidineME0337486175C00475--
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)2',3' cyclic CMPME03374968934C02354--
CYTIDINE 5`-DIPHOSPHATECDPME0337506132C00112--
CYTIDINE 5`-DIPHOSPHOCHOLINECytidine 5'-diphosphocholineME03375113804C00307--
CYTIDINE 5`-DIPHOSPHOCHOLINECytidine 5'-diphosphocholineME03375213804C00307--
CYTIDINE 5`-MONOPHOSPHATECMPME0337536131C00055--
CYTIDINE 5`-MONOPHOSPHATECMPME0337546131C00055--
CYTIDINE 5`-MONOPHOSPHATECMPME0337556131C00055--
CYTIDINE 5`-MONOPHOSPHATECMPME0337566131C00055--
CYTOSINECytosineME033757597C00380--
DEOXYCHOLATEDeoxycholic acidME033758222528C04483--
DEOXYCHOLATEDeoxycholic acidME033759222528C04483--
DEOXYCORTICOSTERONE11-DeoxycorticosteroneME0337606166C14554--
DEOXYCORTICOSTERONE11-DeoxycorticosteroneME0337616166C14554--
DEOXYRIBOSE2-Deoxy-riboseME0337629828112C01801--
DETHIOBIOTINDethiobiotinME033763445027C01909--
DETHIOBIOTINDethiobiotinME033764445027C01909--
DGTPdGTPME03376565103C00286--
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)-ME033767-UP0027--
DIACYL-PHOSPHATIDYLCHOLINE-ME033768-UP0012--
DIHEXOSE-ME033769-CA1495--
DIHYDROFOLATEDihydrofolic acidME03377098792C00415--
DIHYDROOROTATE4,5-Dihydroorotic acidME033771648C00337--
DIHYDROOROTATE4,5-Dihydroorotic acidME033772648C00337--
DIHYDROXYACETONE PHOSPHATEDihydroxyacetone phosphateME033773668C00111--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)-ME033766-UP0002--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME033774675C03114--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME033775675C03114--
DIMETHYLXANTHINE-ME033776185974CA1507--
DIOLEOYLPHOSPHATIDYLCHOLINE-ME0337776437081Z02138--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME033778445580C06429--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME033779445580C06429--
EDTAEdetic acidME0337806049C00284--
ENKEPHALINE, (D-ALA)2-LEU-ME033781-CA1037--
ERYTHRITOLErythritolME033782222285C00503--
ESTRADIOL 17 ALPHAEstradiol-17alphaME03378368570C02537--
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME033784317638CA1342--
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME033785317638CA1342--
FLAVIN ADENINE DINUCLEOTIDEFADME033786643975C00016--
FOLIC ACIDFolic acidME0337876037C00504--
FORMYL-L-METHIONINEN-FormylmethionineME0337886995182C03145--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME033789172313C00354--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME033790172313C00354--
GDP-GLUCOSEGDP-glucoseME033791644106C00394--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME033792439217C00352--
GLUCOSAMINE 6-SULFATEGlucosamine 6-sulfateME03379372361CA1422--
GLUTAMIC ACIDGlutamic acidME03379433032C00302--
GLUTAMINEGlutamineME0337955961C00303--
GLUTAMINEGlutamineME0337965961C00303--
GLUTATHIONEGlutathioneME033797124886C00127--
GLUTATHIONEGlutathioneME033798124886C00051--
GLUTATHIONEGlutathioneME033799124886C00127--
GLYCERIC ACIDGlyceric acidME033800439194C00258--
GLYCEROL PHOSPHATEsn-Glycero-3-phosphateME033801439162CA1512--
GLYCINEGlycineME033802750C00037--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME03380316219441CA1349--
GUANINEGuanineME033804764C00242--
GUANOSINEGuanosineME0338056802C00387--
GUANOSINE 5`-DIPHOSPHATEGDPME0338078977C00035--
GUANOSINE 5` MONOPHOSPHATEGMPME0338066804C00144--
HEXITOLSorbitolME033808453CA1510--
HEXOSEHexoseME033809206C01381--
HIPPURATEHippuric acidME033810464C01586--
HIPPURATEHippuric acidME033811464C01586--
HISTIDINEHistidineME0338126274C00768--
HOMOCYSTEINEHomocysteineME033813778C05330--
HOMOCYSTINEHomocystineME03381410010C01817--
HOMOSERINEHomoserineME03381512647C00263--
HYDROXYPHENYLACETIC / MANDELIC ACID2-Hydroxyphenylacetic acidME03381611914CA1513--
HYPOTAURINEHypotaurineME033817107812C00519--
HYPOXANTHINEHypoxanthineME033818790C00262--
HYPOXANTHINEHypoxanthineME033819790C00262--
INDOLE-3-ACETIC ACIDIndoleacetic acidME033820802C00954--
INDOXYLIndoxylME03382150591C05658--
INOSINEInosineME0338226021C00294--
INOSINEInosineME0338236021C00294--
INOSINEInosineME0338246021C00294--
INOSINE 5`-DIPHOSPHATEIDPME0338256831C00104--
ISOCITRIC ACIDIsocitric acidME0338261198C00311--
KYNURENINEKynurenineME033827161166C01718--
LEUCINELeucineME0338286106C16439--
LUMICHROMELumichromeME0338295326566C01727--
LUMICHROMELumichromeME0338305326566C01727--
LYSINELysineME0338315962C16440--
MALATEMalic acidME033832222656C00711--
MANNOSE-6-PHOSPHATEMannose 6-phosphateME033833439198C00275--
MELATONINMelatoninME033834896C01598--
METHIONINEMethionineME0338356137C01733--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME03383694214C03619--
METHYL JASMONATEMethyl jasmonateME0338375281929C11512--
METHYL JASMONATEMethyl jasmonateME0338385281929C11512--
METHYL PARABENMethylparabenME0338397456CA1357--
MONO-ETHYL MALONATEMonoethyl malonic acidME03384070615CA1417--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-(delta2-Isopentenyl)-adenineME03386092180C04083--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-(delta2-Isopentenyl)-adenineME03386192180C04083--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME03384324139CA1500--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME03384424139CA1500--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME03384570914CA1454--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME03384670914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME033847448580CA1210--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME033848448580CA1210--
N-ACETYL-L-ALANINEN-AcetylalanineME03384988064CE1554--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME03385065065CA1200--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME03385165065CA1200--
N-ACETYL-L-LEUCINEN-AcetylleucineME03385275619C02710--
N-ACETYLNEURAMINATEN-Acetyl-alpha-neuraminic acidME033853439197C00270--
N-ACETYLPUTRESCINEN-AcetylputrescineME033854122356C02714--
N-ACETYLSEROTONINN-AcetylserotoninME033855903C00978--
N-ACETYLSEROTONINN-AcetylserotoninME033856903C00978--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME03385713017C11519--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME03385813017C11519--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME0338597533CA1328--
NICOTINAMIDENiacinamideME033862936C00153--
NICOTINAMIDE ADENINE DINUCLEOTIDENAD+ME03386310897651C00003--
NICOTINAMIDE ADENINE DINUCLEOTIDENAD+ME03386410897651C00003--
NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATENADP+ME0338655886C00006--
NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATENADP+ME0338665886C00006--
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDENicotinamide purin-6-ol-dinucleotideME033867440334C04423--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME03386814180C00455--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME03386914180C00455--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME033870123953C13051--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME033871123953C13051--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME033842440120C03793--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME03384164969C01152--
O-ACETYL-L-CARNITINECAR 2:0ME0338721C02571--
O-ACETYL-L-CARNITINECAR 2:0ME0338731C02571--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME033874106CA1209--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME033875106CA1209--
O-PHOSPHONOHEXOPYRANOSE-ME033876-CA1494--
O-PHOSPHONOHEXOPYRANOSE-ME033877-CA1494--
OPHTHALMIC ACIDOphthalmic acidME0338787018721CA1475--
ORNITHINEOrnithineME0338796262C01602--
OROTIDINE 5`-MONOPHOSPHATEOrotidylic acidME033880160617C01103--
PANTOTHENIC ACIDPantothenic acidME033881988C00864--
PANTOTHENIC ACIDPantothenic acidME033882988C00864--
PENTITOLArabitolME033883827CA1511--
PENTOPYRANOSEPentopyranoseME033884641630CA1493--
PHENYLACETIC ACIDPhenylacetic acidME033885999C07086--
PHENYLACETIC ACIDPhenylacetic acidME033886999C07086--
PHENYLALANINEPhenylalanineME0338876140C02057--
PHENYLALANINEPhenylalanineME0338886140C02057--
PHOSPHATEPhosphoric acidME0338891004C00009--
PHOSPHATEPhosphoric acidME0338901004C00009--
PHOSPHOCHOLINECholine phosphateME033893135437C00588--
PHOSPHOCHOLINECholine phosphateME033894135437C00588--
PHOSPHOCREATINEPhosphocreatineME033895587C02305--
PHOSPHOCREATINEPhosphocreatineME033896587C02305--
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME0338911005C00074--
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME0338921005C00074--
PHOSPHOGLYCERIC ACIDPhosphoglyceric acidME033897724CA1497--
PHTHALATEPhthalic acidME0338981017C01606--
PIPECOLIC ACIDPipecolic acidME033899849C00408--
POSSIBLE L-LEUCYL-L-LEUCINE-ME033900-U03237--
PREGNENOLONEPregnenoloneME0339018955C01953--
PROGESTERONEProgesteroneME0339025994C00410--
PROLINEProlineME033903145742C16435--
PTERINPterinME03390473000C00715--
PYRIDOXALPyridoxalME0339051050C00250--
PYRIDOXAL 5`-PHOSPHATEPyridoxal 5'-phosphateME0339061051C00018--
PYRIDOXAMINEPyridoxamineME0339071052C00534--
PYRIDOXINEPyridoxineME0339081054C00314--
RAFFINOSERaffinoseME033909439242C00492--
RIBOFLAVINRiboflavinME033910493570C00255--
RIBOSE 5-PHOSPHATERibose 5-phosphateME033911439167C00117--
RIBULOSE 1,5-BISPHOSPHATERibulose 1,5-bisphosphateME033912123658C01182--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME033915439155C00021--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME033916439155C00021--
S-ADENOSYL METHIONINES-AdenosylmethionineME03391334755C00019--
S-ADENOSYL METHIONINES-AdenosylmethionineME03391434755C00019--
SALSOLINOLSalsolinolME03391754456C09642--
SELENOCYSTAMINE-ME033918115119CA1403--
SEROTONINSerotoninME0339195202C00780--
SHIKIMATEShikimic acidME0339208742C00493--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME033921657272C00670--
SORBIC ACIDSorbic acidME033922643460CA1411--
SPERMIDINESpermidineME0339231102C00315--
SPERMINESpermineME0339241103C00750--
SPHINGANINESphinganineME03392591486C00836--
SPHINGANINESphinganineME03392691486C00836--
SPHINGOMYELINSM 18:0;O2/22:1ME03392753481362C00550--
STACHYOSEStachyoseME033928439531C01613--
TAURINETaurineME0339291123C00245--
TAURINETaurineME0339301123C00245--
TAURINETaurineME0339311123C00245--
THEOPHYLLINETheophyllineME0339322153C07130--
THIOPURINE S-METHYLETHER6-MethylthiopurineME0339335778C03542--
THYMIDINEThymidineME0339345789C00214--
TRANS-CYCLOHEXANE-1,2-DIOLtrans-Cyclohexane-1,2-diolME03393592886C03739--
TRIGONELLINETrigonellineME0339365570C01004--
TRYPTOPHANTryptophanME0339376305C00806--
TRYPTOPHANTryptophanME0339386305C00806--
TRYPTOPHANAMIDETryptophanamideME033939439356C00977--
TYROSINETyrosineME0339406057C01536--
URATEUric acidME0362251175C00366--
URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE-ME036226-CA1401--
UREAUreaME0362271176C00086--
URIDINEUridineME0362286029C00299--
URIDINEUridineME0362296029C00299--
URIDINEUridineME0362306029C00299--
URIDINE 5`-DIPHOSPHATEUDPME0362316031C00015--
URIDINE-5-MONOPHOSPHATEUMPME0362326030C00105--
UROCANATEUrocanic acidME0362331549103C00785--
VALINEValineME0378096287C16436--
VALINEValineME0378106287C16436--
XANTHINEXanthineME0378111188C00385--
XANTHOSINEXanthosineME03781264959C01762--
XANTHOSINE 5`-MONOPHOSPHATEXMPME03781373323C00655--


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