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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
O-ACETYL-L-CARNITINECAR 2:0ME6574771C02571--
ALPHA-KETO-GLUTARATE2-Oxoglutaric acidME65734551C00026--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME65732172C00230--
3-UREIDOPROPIONIC ACIDUreidopropionic acidME657324111CA1202--
ACETYLCHOLINEAcetylcholineME657337187C01996--
ADENINEAdenineME657338190C00147--
ALLANTOATE (*)Allantoic acidME657344203C00499--
HEXOSEHexoseME657418206C01381--
HEXOSE (M+K)HexoseME657419206C00738--
ANTHRANILATE2-Aminobenzoic acidME657349227C00108--
CADAVERINECadaverineME657366273C01672--
CARNITINECarnitineME657368288C00487--
CHOLINECholineME657376305C00114--
CITRATECitric acidME657380311C00158--
SALICYLIC ACIDSalicylic acidME657514338C00805--
PIMELIC ACIDPimelic acidME657495385C02656--
1-METHYLNICOTINAMIDE1-Methyl nicotinamideME657307457C02918--
HIPPURATEHippuric acidME657420464C01586--
METHYLMALONATEMethylmalonic acidME657453487C02170--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME657328500C01035--
PHOSPHONOACETATEPhosphonoacetateME657493546C05682--
CREATINECreatineME657381586C00300--
CREATININECreatinineME657382588C00791--
CYSTINECystineME657384595C01420--
2-AMINO-2-DEOXYHEXOPYRANOSE-ME657312739CA1504--
GLUTARATEGlutaric acidME657410743C00489--
GLYCINEGlycineME657414750C00037--
GUANINEGuanineME657415764C00242--
HISTAMINEHistamineME657421774C00388--
HOMOCYSTEINEHomocysteineME657423778C05330--
HOMOGENTISATEHomogentisic acidME657424780C00544--
HYPOXANTHINEHypoxanthineME657428790C00262--
INDOLE-3-ACETIC ACIDIndoleacetic acidME657429802C00954--
INDOLEPYRUVATE (*)IndolepyruvateME657431803C00331--
CIS-4-HYDROXY-D-PROLINEcis-4-Hydroxy-D-prolineME657379825C03440--
PENTITOLArabitolME657490827CA1511--
PIPECOLIC ACIDPipecolic acidME657496849C00408--
GLUTATHIONE OXIDIZEDGlutathioneME657413975C00127--
PANTOTHENIC ACIDPantothenic acidME657488988C00864--
PHENYLACETIC ACIDPhenylacetic acidME657491999C07086--
PHTHALATEPhthalic acidME6574941017C01606--
PYRIDOXALPyridoxalME6575051050C00250--
PYRIDOXAL 5`-PHOSPHATEPyridoxal 5'-phosphateME6575061051C00018--
PYRIDOXAMINEPyridoxamineME6575071052C00534--
SPERMINESpermineME6575181103C00750--
STEROL (*)TriethanolamineME6575241107C00370--
SUCCINATESuccinic acidME6575251110C00042--
SUCCINATE (*)Succinic acidME6575261110C00042--
TAURINETaurineME6575271123C00245--
THIAMINEThiamineME6575281130C00378--
TRYPTAMINETryptamineME6575331150C00398--
URATEUric acidME6575361175C00366--
URATE (*)Uric acidME6575371175C00366--
UREAUreaME6575381176C00086--
XANTHINEXanthineME6575431188C00385--
NORMETANEPHRINENormetanephrineME6574761237CA1379--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6573221662C03761--
HOMOVANILLATEHomovanillic acidME6574271738C05582--
AZELAIC ACIDAzelaic acidME6573522266C08261--
CAFFEINECaffeineME6573672519C07481--
KYNURENIC ACIDKynurenic acidME6574363845C01717--
N-ETHYLMALEIMIDEN-EthylmaleimideME6574734362C02441--
SEROTONINSerotoninME6575175202C00780--
XANTHURENIC ACIDXanthurenic acidME6575455699C02470--
THYMIDINEThymidineME6575295789C00214--
EPINEPHRINEEpinephrineME6574025816C00788--
THYROXINEThyroxineME6575305819C01829--
ALANINEAlanineME6573435950C01401--
[13C]-ASPARTIC ACIDAspartic acidME6572945960C00049--
GLUTAMINEGlutamineME6574095961C00303--
[13C]-LYSINELysineME6572985962C00047--
LYSINELysineME6574435962C16440--
CHOLESTEROLCholesterolME6573735997C00187--
CHOLESTEROL (-H20)CholesterolME6573745997C00187--
INOSINEInosineME6574326021C00294--
URIDINEUridineME6575396029C00299--
QUINOLIN-2-OL2-HydroxyquinolineME6575096038C06338--
EDTAEdetic acidME6573996049C00284--
EDTA (*)Edetic acidME6574006049C00284--
[13C]-TYROSINETyrosineME6573036057C00082--
TYROSINETyrosineME6575356057C01536--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6573406076C00575--
ADENOSINE 5`-MONOPHOSPHATEAMPME6573416083C00020--
ADENOSINE 5`-MONOPHOSPHATE (*)AMPME6573426083C00020--
[13C]-LEUCINELeucineME6572976106C00123--
LEUCINELeucineME6574396106C16439--
[13C]-METHIONINEMethionineME6572996137C00073--
METHIONINEMethionineME6574456137C01733--
[13C]-PHENYLALANINEPhenylalanineME6573006140C00079--
PHENYLALANINEPhenylalanineME6574926140C02057--
CYTIDINECytidineME6573856175C00475--
ORNITHINEOrnithineME6574826262C01602--
HISTIDINEHistidineME6574226274C00768--
[13C]-VALINEValineME6573046287C00183--
VALINEValineME6575416287C16436--
[13C]-THREONINEThreonineME6573026288C00188--
TRYPTOPHANTryptophanME6575346305C00806--
[13C]-ISOLEUCINEIsoleucineME6572966306C00407--
ISOLEUCINEIsoleucineME6574346306C16434--
[13C]-ARGININEArginineME6572936322C00062--
QUINATEQuinic acidME6575086508C00296--
4-PYRIDOXATE4-Pyridoxic acidME6573306723C00847--
GUANOSINE 5` MONOPHOSPHATEGMPME6574166804C00144--
INOSINE 5`-DIPHOSPHATEIDPME6574336831C00104--
2`,4`-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME6573096990C03663--
QUINOLINEQuinolineME6575107047C06413--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME6573197124C06325--
METHYL PARABENMethylparabenME6574507456CA1357--
N,N-DIMETHYL-1,4-PHENYLENEDIAMINEN,N-Dimethyl-1,4-phenylenediamineME6574577472C04203--
BIS(2-ETHYLHEXYL)PHTHALATEBis(2-ethylhexyl)phthalateME6573578343C03690--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6573239307CA1364--
N-METHYLTYRAMINE (*)N-MethyltyramineME6574759727C02442--
4-METHYLCATECHOL4-MethylcatecholME6573299958C06730--
CYCLOHEXANE-1,3-DIONECyclohexane-1,3-dioneME65738310434C01066--
INDOLE-3-ETHANOLTryptophanolME65743010685C00955--
5-VALEROLACTONE5-ValerolactoneME65733510953C02240--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME65731511266C05984--
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID2-Hydroxy-4-(methylthio)butanoic acidME65731411427CA1484--
ETHYLMALONIC ACIDEthylmalonic acidME65740311756CA1366--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME65731611914C01983--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME65746612035CE1310--
2-METHYLGLUTARIC ACID2-Methylglutaric acidME65731712046CA1107--
DIMETHYL MALEATEDimethyl maleateME65739212215CA1310--
HOMOSERINEHomoserineME65742512647C00263--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME65747213017C11519--
2`-DEOXYCYTIDINEDeoxycytidineME65731013711C00881--
DEOXYURIDINEDeoxyuridineME65738813712C00526--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME65747114349C03710--
ALPHA-TOCOPHEROLalpha-TocopherolME65734614985C02477--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME65732518189C02946--
5-HYDROXYPENTANOIC ACID5-Hydroxyvaleric acidME65733425945C02804--
1-METHYLADENOSINE1-MethyladenosineME65730627476C02494--
S-ADENOSYL METHIONINES-AdenosylmethionineME65751234755C00019--
SALSOLINOLSalsolinolME65751554456C09642--
ADENOSINEAdenosineME65733960961C00212--
XANTHOSINEXanthosineME65754464959C01762--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME65745564969C01152--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME65746565065CA1200--
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME65732665138CA1491--
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)N1-Methyl-2-pyridone-5-carboxamideME65745869698C05842--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME65746270914CA1454--
PTERINPterinME65750373000C00715--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME65744874706CA1231--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME65746874839C03519--
N-ACETYL-L-LEUCINEN-AcetylleucineME65746775619C02710--
METHYLIMIDAZOLEACETIC ACID (*)Methylimidazoleacetic acidME65745275810C05828--
BOC-PHE-OH-ME65736277857CA1334--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME65730579034C08317--
BOC-ASN-ME65736082035C01410--
BOC-ALA-OH-ME65735985082CA1333--
N-ACETYL-L-ALANINEN-AcetylalanineME65746488064CE1554--
SPHINGANINESphinganineME65751991486C00836--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME65746092180C04083--
TRANS-CYCLOHEXANE-1,2-DIOLtrans-Cyclohexane-1,2-diolME65753292886C03739--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME65747092907CA1219--
DIMETHYLGUANOSINE (*)DimethylguanosineME65739492919M12011--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME65744794214C03619--
L-LEUCYL-L-LEUCINE (*)Leu-LeuME65744294244C11332--
GAMMA-GLUTAMYLTYROSINE (*)gamma-GlutamyltyrosineME65740794340M12012--
N4-ACETYLCYTIDINE (*)N4-AcetylcytidineME657459107461M12019--
GAMMA-GLUTAMYLPHENYLALANINE (*)gamma-GlutamylphenylalanineME657406111299M00015--
SELENOCYSTAMINESelenocystamineME657516115119CA1403--
DIMETHYLARGININE (*)DimethylarginineME657393123831C03626--
GLUTATHIONEGlutathioneME657412124886C00127--
6,7-DIHYDROBIOPTERIN4a-Carbinolamine tetrahydrobiopterinME657336133246C00268--
[13C]-PROLINEProlineME657301145742C00148--
PROLINEProlineME657501145742C16435--
KYNURENINEKynurenineME657437161166C01718--
NICOTINATE D-RIBONUCLEOSIDE (*)D-RibosylnicotinateME657474161233C05841--
5-Aminoimidazole ribotide (*)AIRME657332161500C03373--
3-(CYSTEIN-S-YL)ACETAMINOPHEN (*)3-(Cystein-S-yl)acetaminophenME657320171264M12016--
BIOTINBiotinME657356171548C00120--
DIMETHYLXANTHINE-ME657395185974CA1507--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME657358186004C01159--
PROPIONYLCARNITINE (*)CAR 3:0ME657502188824C03017--
BUTYRYLCARNITINE (*)CAR 4:0ME657365213144M00004--
CHOLIC ACIDCholic acidME657375221493C00695--
DEOXYCHOLATEDeoxycholic acidME657387222528C04483--
MALATEMalic acidME657444222656C00711--
BOC-ASP-OH-ME657361302432CA1350--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME657513439155C00021--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME657331439176C00170--
BRADYKININ (*)BradykininME657363439201C00306--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME657408439217C00352--
CARNOSINECarnosineME657369439224C00386--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME657313439268C00586--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME657333439280C01017--
PANTOLACTONEPantolactoneME657487439368C01012--
CHOLESTA-5,7-DIEN-3BETA-OL7-DehydrocholesterolME657372439423C01164--
N-ACETYL-BETA-D-GLUCOSAMINYLAMINE (*)N-Acetyl-beta-glucosaminylamineME657461439454C01239--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME657456440120C03793--
OCTOPAMINEOctopamineME657478440266C04227--
HOMOSTACHYDRINE (*)(S)-HomostachydrineME657426441447C08283--
BIOPTERINBiopterinME657355445040C06313--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME657396445580C06429--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME657463448580CA1210--
PALMITOYLGLYCEROPHOSPHOCHOLINE (*)LPC 16:0ME657486460602C04102--
MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)LPC 14:0ME657454460604C04230--
RIBOFLAVINRiboflavinME657511493570C00255--
4-COUMARATEcis-p-Coumaric acidME657327637542C00811--
PIPERINE (*)PiperineME657497638024C03882--
2-METHYLMALEATECitraconic acidME657318643798C02226--
CINNAMOYLGLYCINE (*)CinnamoylglycineME657377709625M00022--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6574411549100C00666--
UROCANATEUrocanic acidME6575401549103C00785--
SPHINGOSINE (*)SphingosineME6575205280335C00319--
BILIVERDINBiliverdinME6573545280353C00500--
OLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:1ME6574805280634C03916--
LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:2ME6574405280646C04100--
METHYL JASMONATEMethyl jasmonateME6574495281929C11512--
OLEAMIDEOleamideME6574795283387CA1223--
1-OLEOYL-RAC-GLYCEROLMG 18:1ME6573085319879CA1373--
ISOVALERYLCARNITINE (*)CAR 4:0;3MeME6574356426851M00007--
STEAROYL SPHINGOMYELIN (*)SM 18:1;O2/18:0ME6575216453725C00550--
METHIONYLALANINE (*)Met-AlaME6574467009581M00027--
OPHTHALMIC ACIDOphthalmic acidME6574817018721CA1475--
PALMITOYL SPHINGOMYELIN (*)SM 18:1;O2/16:0ME6574849939941M12007--
LAUROYLCARNITINECAR 12:0ME65743810427569CA1406--
VITAMIN D3Vitamin D3ME65754210883523C05443--
PRO-HYDROXY-PRO (*)Pro-hydroxyProME65750011902892M00031--
PALMITOYLCARNITINE (*)CAR 16:0ME65748511953816C02990--
DECANOYLCARNITINE (*)CAR 10:0ME65738611953821M00023--
GAMMA-GLUTAMYLISOLEUCINE (*)gamma-GlutamylisoleucineME65740414253342M12015--
TIGLYL CARNITINE (*)CAR 4:1;2MeME65753122833596M00005--
PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 16:1ME65748324779461M12010--
STEAROYLCARNITINE (*)CAR 18:0ME65752252922056M12005--
25-HYDROXYCHOLESTEROL25-HydroxycholesterolME65731153477807C15519--
DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*)LPE 22:6ME65739753480465C04230--
HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)LPC 17:0ME65741753480465C04230--
CERAMIDE PHOSPHOCHOLINE (*)SM 18:0;O2/22:1ME65737053481362C00550--
GLUTAROYL CARNITINE (*)CAR DC5:0ME65741153481622M00066--
CIS-4-DECENOYL CARNITINE (*)CAR 10:1ME65737857357170M00018--
[13C]-GLUTAMATEGlutamic acidME657295-C00025--
AMINOHYDROXYBENZOIC ACIDAminohydroxybenzoic acidME657347-CA1514--
AMINOHYDROXYBUTANOIC ACID-ME657348-CA1508--
ARACHIDONOYLGLYCEROPHOSPHOCHOLINE (*)LPC 20:4ME657350-C05208--
ARG-VAL-TRPArg-Val-TrpME657351-CA1890--
BENZENEDICARBOXYLIC ACID-ME657353-CA1518--
BRADYKININ DES-ARG(9) (*)BradykininME657364-M11998--
C-GLYCOSYLTRYPTOPHAN (*)C-GlycosyltryptophanME657371-M00067--
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)-ME657389-UP0027--
DIHEXOSE-ME657390-CA1495--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)-ME657391-UP0002--
DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINELPC 22:5ME657398-M00011--
EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE (*)-ME657401-M12006--
GAMMA-GLUTAMYLMETHIONINE (*)gamma-GlutamylmethionineME657405-M00013--
METHYLGLUTAROYLCARNITINE (*)CAR DC5:0;3MeME657451-M12018--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME657469-CA1214--
PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCERO...-ME657489-M00009--
POSSIBLY C47H42O21, K ADDUCT-ME657498-M12021--
POSSIBLY C47H42O21, NA ADDUCT-ME657499-M12021--
PYRIDINE CARBOXYLIC ACID-ME657504-CA1509--
STEAROYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:0ME657523-M12014--


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
2-HYDROXYGLUTARATE (*)2-Hydroxyglutaric acidME65755443C02630--
3-METHYL-2-OXOVALERIC ACID3-Methyl-2-oxovaleric acidME65756247C03465--
3-METHYL-2-OXOBUTANOIC ACID (*)Ketoisovaleric acidME65756149C00141--
4-METHYL-2-OXO-PENTANOIC ACIDKetoleucineME65756570C00233--
ADENINEAdenineME657574190C00147--
ADP-RIBOSEADP-riboseME657577192C00301--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME657569200CA1116--
HEXOSEHexoseME657609206C01381--
CATECHOLPyrocatecholME657589289C00090--
CITRATECitric acidME657592311C00158--
CAPRYLIC ACIDCaprylic acidME657588379C06423--
HIPPURATEHippuric acidME657610464C01586--
METHYLMALONATEMethylmalonic acidME657625487C02170--
5-OXO-PROLINEPyroglutamic acidME657571499C01879--
5,6-DIHYDROURACILDihydrouracilME657568649C00429--
HYPOXANTHINEHypoxanthineME657612790C00262--
PENTITOLArabitolME657644827CA1511--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME657557873C01198--
MYO-INOSITOLMyo-inositolME657626892C00137--
MELATONINMelatoninME657622896C01598--
4-AMINOBENZOATEp-Aminobenzoic acidME657563978C00568--
PANTOTHENIC ACIDPantothenic acidME657643988C00864--
PHENYLACETATE (*)Phenyl acetateME657645999C07086--
PYRIDOXALPyridoxalME6576491050C00250--
PYRUVATEPyruvic acidME6576501060C00022--
SUCCINATESuccinic acidME6576541110C00042--
TAURINETaurineME6576551123C00245--
THIAMINEThiamineME6576581130C00378--
URACILUracilME6576651174C00106--
URATEUric acidME6576661175C00366--
13(S)-HPODE (*)13S-HpODEME6575501426C04717--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6575591662C03761--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6575701826C05635--
AZELAIC ACIDAzelaic acidME6575832266C08261--
DECANOATECapric acidME6575952969C01571--
INDOLEPROPIONATE (*)3-Indolepropionic acidME6576143744K25954--
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDKynurenic acidME6575643845C01717--
LAURIC ACIDLauric acidME6576183893C02679--
N-ETHYLMALEIMIDEN-EthylmaleimideME6576374362C02441--
CORTISOL 21-ACETATECortisol 21-acetateME6575935744C02821--
THYMIDINEThymidineME6576605789C00214--
SERINESerineME6576515951C00716--
ASPARTATEAspartic acidME6575825960C16433--
GLUTAMINEGlutamineME6576065961C00303--
INOSINEInosineME6576156021C00294--
URIDINEUridineME6576676029C00299--
2-HYDROXYQUINOLINE2-HydroxyquinolineME6575556038C06338--
EDTAEdetic acidME6575996049C00284--
[C13] TYROSINETyrosineME6575486057C01536--
ADENOSINE 5`-MONOPHOSPHATEAMPME6575766083C00020--
METHIONINEMethionineME6576236137C01733--
[C13] PHENYLALANINEPhenylalanineME6575476140C02057--
PHENYLALANINEPhenylalanineME6576466140C02057--
CYTIDINECytidineME6575946175C00475--
ORNITHINEOrnithineME6576416262C00515--
[C13] VALINEValineME6575496287C00719--
TRYPTOPHAN (*)TryptophanME6576636305C00078--
ARGININEArginineME6575816322C02385--
TAUROCHOLATE (*)Taurocholic acidME6576576675C05122--
4-PYRIDOXATE4-Pyridoxic acidME6575666723C00847--
INOSINE 5`-DIPHOSPHATEIDPME6576166831C00104--
HEPTANOIC ACIDHeptylic acidME6576078094CA1393--
NONANOATEPelargonic acidME6576398158C01601--
HEXANOATECaproic acidME6576088892C01585--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6575609307CA1364--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6575589378C03672--
GLUCONIC ACIDGluconic acidME65760410690C00257--
MALEIMIDEMaleimideME65762110935C07272--
N-ACETYLGLYCINEN-AcetylglycineME65763310972CA1212--
MYRISTIC ACIDMyristic acidME65762711005C06424--
TRIDECANOIC ACIDTridecylic acidME65766212530CA1367--
2`-DEOXYCYTIDINEDeoxycytidineME65755213711C00881--
DEOXYURIDINEDeoxyuridineME65759613712C00526--
ADENOSINEAdenosineME65757560961C00212--
4-VINYLPHENOL SULFATE (*)4-HydroxystyreneME65756762453C05627--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME65762964969C01152--
N(PAI)-METHYL-L-HISTIDINE (*)3-MethylhistidineME65763064969C01152--
2`-DEOXYURIDINE 5`-MONOPHOSPHATEdUMPME65755365063C00365--
OCTADECANEDIOATE (*)Octadecanedioic acidME65764070095K26463--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME65763574839C03519--
N-ACETYL-L-LEUCINEN-AcetylleucineME65763475619C02710--
BOC-PHE-OH-ME65758777857CA1334--
BOC-ASN-ME65758582035---
INDICANIndicanME65761392769C08481--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME65762494214C03619--
PREGN STEROID MONOSULFATE (*)Pregnenolone sulfateME657647105074C18044--
LACTATELactic acidME657617107689C01432--
(S)-LACTATELactic acidME657546107689C00186--
B-ALANYL-N(PAI)-METHYL-L-HISTIDINEAnserineME657584112072C01262--
DOPAMINE 3-O-SULFATE (*)Dopamine 3-O-sulfateME657598122136C13690--
PROLINEProlineME657648145742C16435--
THREONATE (*)Threonic acidME657659151152C01620--
MALATEMalic acidME657620222656C00711--
BOC-ASP-OH-ME657586302432CA1350--
TAUROCHENODEOXYCHOLATE (*)Taurochenodeoxycholic acidME657656387316C05465--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME657636439197C00270--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME657631439281C03136--
TRYPTOPHANAMIDETryptophanamideME657664439356C00977--
GLUCURONOLACTONEGlucuronolactoneME657605439782C02670--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME657632439917C03137--
ACONITATE (*)trans-Aconitic acidME657573444212C00417--
FUMARIC ACIDFumaric acidME657601444972C00122--
PALMITOLEIC ACIDPalmitoleic acidME657642445638C08362--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6576191549100C00666--
15(S)-HETE (*)15S-HETEME6575515280724C04742--
GAMMA-LINOLENIC ACIDgamma-Linolenic acidME6576035280933C06426--
MYRISTOLEIC ACIDMyristoleic acidME6576285281119C08322--
STEARIDONATE (*)Stearidonic acidME6576535282837C16300--
SPHINGOSINE 1-PHOSPHATE (*)Sphingosine 1-phosphateME6576525283560C06124--
CINNAMIC ACIDtrans-Cinnamic acidME6575905372954C10438--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME6575915497181CA1260--
N-OLEOYLGLYCINEN-Oleoyl glycineME6576386436908CA1254--
FORMYL-L-METHIONINEN-FormylmethionineME6576006995182C03145--
THYMIDINE 5`-MONOPHOSPHATETMPME65766112803287C00364--
2-OXO-3-HYDROXY-4-PHOSPHOBUTANOATE (*)2-Oxo-3-hydroxy-4-phosphobutanoic acidME65755625245610C06054--
7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME65757253481411C17337--
AMINOHYDROXYBUTANOIC ACID-ME657578-CA1508--
AMINOPENTANOIC ACIDAminopentanoic acidME657579-CA1501--
AMINOPROPIONIC ACID / SARCOSINE-ME657580-CA1506--
DODECENOATE (*)Dodecenoic acidME657597-K23296--
GAMMA-GLUTAMYLTHREONINE (*)gamma-GlutamylthreonineME657602-M05342--
HYDROXYDECANOATE (*)Hydroxydecanoic acidME657611-K21895--


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