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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
[13C]-ARGININEArginineME6479266322CA1719--
[13C]-ASPARTIC ACIDAspartic acidME6479275960CA1745--
[13C]-GLUTAMATEGlutamic acidME647928-CA1731--
[13C]-LEUCINELeucineME6479296106CA1831--
[13C]-LYSINELysineME6479305962CA1684--
[13C]-METHIONINEMethionineME6479316137CA1790--
[13C]-PHENYLALANINEPhenylalanineME6479326140CA1855--
[13C]-PROLINEProlineME647933145742CA1754--
[13C]-THREONINEThreonineME6479346288CA1727--
[13C]-TYROSINETyrosineME6479356057CA1825--
[13C]-VALINEValineME6479366287CA1779--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME64793716219892CA1375--
1,2-DIPALMITOYL-SN-GLYCEROLDG 16:0_16:0ME647938644078CA1156--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME64793994141C05284--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME64794079034C08317--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6479416238C01176--
1-METHYLADENOSINE1-MethyladenosineME64794227476C02494--
1-OLEOYL-RAC-GLYCEROLMG 18:1ME6479435319879CA1373--
2`-DEOXYADENOSINEDeoxyadenosineME64794413730C00559--
2`-DEOXYADENOSINE 5`-DIPHOSPHATEdADPME647945188966C00206--
2`-DEOXYCYTIDINEDeoxycytidineME64794613711C00881--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME647947150855C00705--
2`-DEOXYGUANOSINEDeoxyguanosineME647948187790C00330--
2`-DEOXYGUANOSINE 5`-DIPHOSPHATEdGDPME647949439220C00361--
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATEdGMPME64795065059C00362--
2-AMINOPHENOL2-AminophenolME6479515801C01987--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME647952439268C00586--
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID2-Hydroxy-4-(methylthio)butanoic acidME64795311427CA1484--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME64795411914C01983--
2-METHYLGLUTARIC ACID2-Methylglutaric acidME64795512046CA1107--
2-METHYLMALEATECitraconic acidME647956643798C02226--
3,3`-DITHIODIVALINE3,3'-DithiodivalineME647957258527CA1489--
3,5-DIIODO-L-THYRONINE3,5-DiiodothyronineME647958123675CE6369--
3`-CMP3'-CMPME64795966535C05822--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6479601662C03761--
3-HYDROXYANTHRANILATE3-Hydroxyanthranilic acidME64796186C00632--
3-METHYLADENINE3-MethyladenineME6479621673C00913--
3-UREIDOPROPIONIC ACIDUreidopropionic acidME647963111CA1202--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME64796418189C02946--
4-AMINOBENZOATEp-Aminobenzoic acidME647965978C00568--
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME64796665138CA1491--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME647967500C01035--
4-METHYL-2-OXOPENTANOATEKetoleucineME64796870C00233--
5`-DEOXYADENOSINE5'-DeoxyadenosineME647969439182C05198--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME647970439176C00170--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6479711826C05635--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME647972439280C00643--
5-OXO-PROLINEPyroglutamic acidME647973499C01879--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME64797491493C00345--
ADENINEAdenineME647975190C00147--
ADENOSINEAdenosineME64797660961C00212--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6479776076C00575--
ADENOSINE 5`-DIPHOSPHATEADPME6479786022C00008--
ADENOSINE 5`-MONOPHOSPHATEAMPME6479796083C00020--
ADENOSINE DIPHOSPHATEADPME6479806022CA1496--
ADP-RIBOSEADP-riboseME647981192C00301--
ALANINEAlanineME6479825950C01401--
ALLANTOINAllantoinME647983204C01551--
AMINOHYDROXYBENZOIC ACIDAminohydroxybenzoic acidME647984-CA1514--
AMINOHYDROXYBUTANOIC ACID-ME647985-CA1508--
ANDROSTERONEAndrosteroneME6479865879C00523--
ANTHRANILATE2-Aminobenzoic acidME647987227C00108--
ARGININEArginineME6479886322C02385--
ARG-VAL-TRPArg-Val-TrpME647989-CA1890--
ASCORBATEVitamin CME64799054670067C00072--
ASPARAGINEAsparagineME6479916267C16438--
ASPARTATEAspartic acidME6479925960C16433--
BENZOINBenzoinME6479938400C01408--
BIOTINBiotinME647994171548C00120--
BIS(2-ETHYLHEXYL)PHTHALATEBis(2-ethylhexyl)phthalateME6479958343C03690--
BOC-ALA (+NA)-ME647996-CA1333--
BOC-ALA-OH-ME64799785082CA1333--
BOC-ASN-ME64799882035C01410--
BOC-ASP-OH-ME647999302432CA1350--
BOC-HIS-OH-ME64800087308CA1336--
BOC-LYS-OH-ME6480017018769CA1424--
BOC-PHE-OH-ME64800277857CA1334--
CAFFEINECaffeineME6480032519C07481--
CARNOSINECarnosineME648004439224C00386--
CITRAMALATECitramalic acidME6480051081C00815--
CITRATECitric acidME648006311C00158--
CORTICOSTERONECorticosteroneME6480075753C02140--
CORTISOL 21-ACETATECortisol 21-acetateME6480085744C02821--
CORTISONECortisoneME648009222786C00762--
CREATINECreatineME648010586C00300--
CREATININECreatinineME648011588C00791--
CREATININE FROM COMPLEXCreatinineME648012588C00791--
CYSTEIC ACIDCysteic acidME64801372886C00506--
CYSTEINECysteineME648014594C00736--
CYSTINECystineME648015595C01420--
CYTIDINECytidineME6480166175C00475--
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)2',3' cyclic CMPME64801768934C02354--
CYTIDINE 5`-DIPHOSPHATECDPME6480186132C00112--
CYTIDINE 5`-DIPHOSPHOCHOLINECDP-cholineME64801913804C00307--
CYTIDINE 5`-MONOPHOSPHATECMPME6480206131C00055--
CYTOSINECytosineME648021597C00380--
DEOXYCHOLATEDeoxycholic acidME648022222528C04483--
DEOXYCORTICOSTERONEDeoxy-corticosteroneME6480236166C14554--
DEOXYRIBOSEDeoxyriboseME6480249828112C01801--
DETHIOBIOTINDethiobiotinME648025445027C01909--
DGTPdGTPME64802665103C00286--
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)-ME648027-UP0027--
DIACYL-PHOSPHATIDYLCHOLINE-ME648028-UP0012--
DIHEXOSE-ME648029-CA1495--
DIHYDROFOLATEDihydrofolic acidME64803098792C00415--
DIHYDROOROTATE4,5-Dihydroorotic acidME648031648C00337--
DIHYDROXYACETONE PHOSPHATEDihydroxyacetone phosphateME648032668C00111--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)-ME648033-UP0002--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME648034675C03114--
DIMETHYLXANTHINE-ME648035185974CA1507--
DIOLEOYLPHOSPHATIDYLCHOLINEPC 18:1/18:1ME6480366437081Z02138--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME648037445580C06429--
EDTAEdetic acidME6480386049C00284--
ENKEPHALINE, (D-ALA)2-LEU-ME648039-CA1037--
ERYTHRITOLErythritolME648040222285C00503--
ESTRADIOL 17 ALPHAEstradiol-17alphaME64804168570C02537--
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME648042317638CA1342--
FLAVIN ADENINE DINUCLEOTIDEFADME648043643975C00016--
FOLIC ACIDFolic acidME6480446037C00504--
FORMYL-L-METHIONINEN-FormylmethionineME6480456995182C03145--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME648046172313C00354--
GDP-GLUCOSEGDP-glucoseME648047644106C00394--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME648048439217C00352--
GLUCOSAMINE 6-SULFATEGlucosamine 6-sulfateME64804972361CA1422--
GLUTAMIC ACIDGlutamic acidME64805033032C00302--
GLUTAMINEGlutamineME6480515961C00303--
GLUTATHIONEGlutathioneME648052124886C00127--
GLYCERIC ACIDGlyceric acidME648053439194C00258--
GLYCEROL PHOSPHATEsn-Glycero-3-phosphateME648054439162CA1512--
GLYCINEGlycineME648055750C00037--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME64805616219441CA1349--
GUANINEGuanineME648057764C00242--
GUANOSINEGuanosineME6480586802C00387--
GUANOSINE 5` MONOPHOSPHATEGMPME6480596804C00144--
GUANOSINE 5`-DIPHOSPHATEGDPME6480608977C00035--
HEXITOLSorbitolME648061453CA1510--
HEXOSEHexoseME648062206C01381--
HIPPURATEHippuric acidME648063464C01586--
HISTIDINEHistidineME6480646274C00768--
HOMOCYSTEINEHomocysteineME648065778C05330--
HOMOCYSTINEHomocystineME64806610010C01817--
HOMOSERINEHomoserineME64806712647C00263--
HYDROXYPHENYLACETIC / MANDELIC ACID2-Hydroxyphenylacetic acidME64806811914CA1513--
HYPOTAURINEHypotaurineME648069107812C00519--
HYPOXANTHINEHypoxanthineME648070790C00262--
INDOLE-3-ACETIC ACIDIndoleacetic acidME648071802C00954--
INDOXYLIndoxylME64807250591C05658--
INOSINEInosineME6480736021C00294--
INOSINE 5`-DIPHOSPHATEIDPME6480746831C00104--
ISOCITRIC ACIDIsocitric acidME6480751198C00311--
KYNURENINEKynurenineME648076161166C01718--
LEUCINELeucineME6480776106C16439--
LUMICHROMELumichromeME6480785326566C01727--
LYSINELysineME6480795962C16440--
MALATEMalic acidME648080222656C00711--
MANNOSE-6-PHOSPHATEMannose 6-phosphateME648081439198C00275--
MELATONINMelatoninME648082896C01598--
METHIONINEMethionineME6480836137C01733--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME64808494214C03619--
METHYL JASMONATEMethyl jasmonateME6480855281929C11512--
METHYL PARABENMethylparabenME6480867456CA1357--
MONO-ETHYL MALONATEMonoethyl malonic acidME64808770615CA1417--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME64808864969C01152--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME648089440120C03793--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME64809092180C04083--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME64809124139CA1500--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME64809270914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME648093448580CA1210--
N-ACETYL-L-ALANINEN-AcetylalanineME64809488064CE1554--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME64809565065CA1200--
N-ACETYL-L-LEUCINEN-AcetylleucineME64809675619C02710--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME648097439197C00270--
N-ACETYLPUTRESCINEN-AcetylputrescineME648098122356C02714--
N-ACETYLSEROTONINN-AcetylserotoninME648099903C00978--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME64810013017C11519--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME6481017533CA1328--
NICOTINAMIDENiacinamideME648102936C00153--
NICOTINAMIDE ADENINE DINUCLEOTIDENAD+ME64810310897651C00003--
NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATENADP+ME6481045886C00006--
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDENicotinamide purin-6-ol-dinucleotideME648105440334C04423--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME64810614180C00455--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME648107123953C13051--
O-ACETYL-L-CARNITINECAR 2:0ME6481081C02571--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME648109106CA1209--
O-PHOSPHONOHEXOPYRANOSE-ME648110-CA1494--
OPHTHALMIC ACIDOphthalmic acidME6481117018721CA1475--
ORNITHINEOrnithineME6481126262C01602--
OROTIDINE 5`-MONOPHOSPHATEOrotidylic acidME648113160617C01103--
PANTOTHENIC ACIDPantothenic acidME648114988C00864--
PENTITOLArabitolME648115827CA1511--
PENTOPYRANOSEPentopyranoseME648116641630CA1493--
PHENYLACETIC ACIDPhenylacetic acidME648117999C07086--
PHENYLALANINEPhenylalanineME6481186140C02057--
PHOSPHATEPhosphoric acidME6481191004C00009--
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME6481201005C00074--
PHOSPHOCHOLINECholine phosphateME648121135437C00588--
PHOSPHOCREATINEPhosphocreatineME648122587C02305--
PHOSPHOGLYCERIC ACIDPhosphoglyceric acidME648123724CA1497--
PHTHALATEPhthalic acidME6481241017C01606--
PIPECOLIC ACIDPipecolic acidME648125849C00408--
POSSIBLE L-LEUCYL-L-LEUCINE-ME648126-U03237--
PREGNENOLONEPregnenoloneME6481278955C01953--
PROGESTERONEProgesteroneME6481285994C00410--
PROLINEProlineME648129145742C16435--
PTERINPterinME64813073000C00715--
PYRIDOXALPyridoxalME6481311050C00250--
PYRIDOXAL 5`-PHOSPHATEPyridoxal 5'-phosphateME6481321051C00018--
PYRIDOXAMINEPyridoxamineME6481331052C00534--
PYRIDOXINEPyridoxineME6481341054C00314--
RAFFINOSERaffinoseME648135439242C00492--
RIBOFLAVINRiboflavinME648136493570C00255--
RIBOSE 5-PHOSPHATERibose 5-phosphateME648137439167C00117--
RIBULOSE 1,5-BISPHOSPHATERibulose 1,5-bisphosphateME648138123658C01182--
S-ADENOSYL METHIONINES-AdenosylmethionineME64813934755C00019--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME648140439155C00021--
SALSOLINOLSalsolinolME64814154456C09642--
SELENOCYSTAMINESelenocystamineME648142115119CA1403--
SEROTONINSerotoninME6481435202C00780--
SHIKIMATEShikimic acidME6481448742C00493--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME648145657272C00670--
SORBIC ACIDSorbic acidME648146643460CA1411--
SPERMIDINESpermidineME6481471102C00315--
SPERMINESpermineME6481481103C00750--
SPHINGANINESphinganineME64814991486C00836--
SPHINGOMYELINSM 18:1;O2/18:0ME64815053481362C00550--
STACHYOSEStachyoseME648151439531C01613--
TAURINETaurineME6481521123C00245--
THEOPHYLLINETheophyllineME6481532153C07130--
THIOPURINE S-METHYLETHER6-MethylthiopurineME6481545778C03542--
THYMIDINEThymidineME6481555789C00214--
TRANS-CYCLOHEXANE-1,2-DIOLtrans-Cyclohexane-1,2-diolME64815692886C03739--
TRIGONELLINETrigonellineME6481575570C01004--
TRYPTOPHANTryptophanME6481586305C00806--
TRYPTOPHANAMIDETryptophanamideME648159439356C00977--
TYROSINETyrosineME6481606057C01536--
URATEUric acidME6481611175C00366--
URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE-ME648162-CA1401--
UREAUreaME6481631176C00086--
URIDINEUridineME6481646029C00299--
URIDINE 5`-DIPHOSPHATEUDPME6481656031C00015--
URIDINE-5-MONOPHOSPHATEUMPME6481666030C00105--
UROCANATEUrocanic acidME6481671549103C00785--
VALINEValineME6481686287C16436--
XANTHINEXanthineME6481691188C00385--
XANTHOSINEXanthosineME64817064959C01762--
XANTHOSINE 5`-MONOPHOSPHATEXMPME64817173323C00655--


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