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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
PHOSPHATEPhosphoric acidME6461721004C00009--
PYRUVATEPyruvic acidME6461801060C00022--
ALPHA-KETO-GLUTARATE2-Oxoglutaric acidME64605751C00026--
SUCCINATESuccinic acidME6461921110C00042--
CATECHOLPyrocatecholME646080289C00090--
URACILUracilME6462001174C00106--
CYTIDINE 5`-DIPHOSPHATECDPME6460966132C00112--
RIBOSE 5-PHOSPHATERibose 5-phosphateME646184439167C00117--
BIOTINBiotinME646070171548C00120--
FUMARIC ACIDFumaric acidME646109444972C00122--
MYO-INOSITOLMyo-inositolME646142892C00137--
CITRATECitric acidME646087311C00158--
PHENYLPYRUVATEPhenylpyruvic acidME646171997C00166--
BENZOATEBenzoic acidME646068243C00180--
(S)-LACTATELactic acidME646013107689C00186--
OXALATEOxalic acidME646161971C00209--
ADENOSINEAdenosineME64605460961C00212--
ARACHIDONATEArachidonic acidME646062444899C00219--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME64603272C00230--
4-METHYL-2-OXO-PENTANOIC ACIDKetoleucineME64604570C00233--
TAURINETaurineME6461931123C00245--
BUTANOATEButyric acidME64607820975673C00246--
PALMITIC ACIDPalmitic acidME646162985C00249--
PYRIDOXALPyridoxalME6461791050C00250--
RIBOFLAVINRiboflavinME646183493570C00255--
GLYCERIC ACIDGlyceric acidME646115439194C00258--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME646150439197C00270--
INOSINEInosineME6461286021C00294--
CREATINECreatineME646090586C00300--
GLUTAMIC ACIDGlutamic acidME64611233032C00302--
GLUTAMINEGlutamineME6461135961C00303--
CITRULLINECitrullineME6460889750C00327--
(S)-DIHYDROOROTATE4,5-Dihydroorotic acidME646012648C00337--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME64605391493C00345--
URATEUric acidME6462011175C00366--
XANTHINEXanthineME6462031188C00385--
GUANOSINEGuanosineME6461186802C00387--
PIPECOLATEPipecolic acidME646173849C00408--
PROGESTERONEProgesteroneME6461755994C00410--
DEHYDROASCORBATEL-Dehydroascorbic acidME646098210328C00425--
5,6-DIHYDROURACILDihydrouracilME646047649C00429--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME646049137C00430--
2`-DEOXYURIDINE 5`-TRIPHOSPHATEUTPME6460256133C00460--
PURINEPurineME6461771044C00465--
ESTRONEEstroneME6461065870C00468--
GLUTARATEGlutaric acidME646114743C00489--
RAFFINOSERaffinoseME646181439242C00492--
BILIVERDINBiliverdinME6460695280353C00500--
CYSTEIC ACIDCysteic acidME64609472886C00506--
TESTOSTERONETestosteroneME6461946013C00535--
NORADRENALINEXi-NorepinephrineME646158951C00547--
2`-DEOXYADENOSINEDeoxyadenosineME64602413730C00559--
4-AMINOBENZOATEp-Aminobenzoic acidME646040978C00568--
GUANIDINOACETATEGuanidoacetic acidME646117763C00581--
CHOLINE PHOSPHATECholine phosphateME646084135437C00588--
PHENYLACETALDEHYDEPhenylacetaldehydeME646168998C00601--
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME646042126C00633--
4-HYDROXYPHENYLACETATE4-Hydroxyphenyl acetateME646044127C00642--
CHOLATECholic acidME646082221493C00695--
MALATEMalic acidME646135222656C00711--
OLEATEOleic acidME646159445639C00712--
SERINESerineME6461905951C00716--
[C13] VALINEValineME6460176287C00719--
HISTIDINEHistidineME6461246274C00768--
RETINOATERetinoic acidME646182444795C00777--
CREATININECreatinineME646091588C00791--
PENTANOATEValeric acidME6461667991C00803--
TRYPTOPHANTryptophanME6461986305C00806--
GLUCARIC ACIDGlucaric acidME64611033037C00818--
MENAQUINONEMenaquinoneME6461375280374C00828--
4-PYRIDOXATE4-Pyridoxic acidME6460466723C00847--
PANTOTHENIC ACIDPantothenic acidME646164988C00864--
INDOLE-3-ACETIC ACIDIndoleacetic acidME646127802C00954--
TRYPTOPHANAMIDETryptophanamideME646199439356C00977--
N-ACETYLSEROTONINN-AcetylserotoninME646151903C00978--
OROTIDINE 5`-MONOPHOSPHATEOrotidylic acidME646160160617C01103--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME64614464969C01152--
2,3-DIPHOSPHO-D-GLYCERIC ACID2,3-Diphosphoglyceric acidME646022186004C01159--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6460196238C01176--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME646030873C01198--
BOC-ASN-OH-ME64607382035C01410--
CYS-GLYCys-GlyME646093439498C01419--
CYSTINECystineME646095595C01420--
FERULATEtrans-Ferulic acidME646107445858C01494--
STEARATEStearic acidME6461915281C01530--
[C13] TYROSINETyrosineME6460166057C01536--
DECANOATECapric acidME6460972969C01571--
HEXANOATECaproic acidME6461218892C01585--
HIPPURATEHippuric acidME646123464C01586--
LINOLEATELinoleic acidME6461345280450C01595--
MELATONINMelatoninME646136896C01598--
NONANOATEPelargonic acidME6461578158C01601--
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDKynurenic acidME6460413845C01717--
KYNURENINEKynurenineME646130161166C01718--
[C13] METHIONINEMethionineME6460146137C01733--
METHIONINEMethionineME6461386137C01733--
ALDOSTERONEAldosteroneME6460565839C01780--
DEOXYRIBOSEDeoxyriboseME6461009828112C01801--
THYROXINEThyroxineME6461965819C01829--
5-OXO-PROLINEPyroglutamic acidME646052499C01879--
DETHIOBIOTINDethiobiotinME646101445027C01909--
GLYCOCHOLATEGlycocholic acidME64611610140C01921--
PREGNENOLONEPregnenoloneME6461748955C01953--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME64602711914C01983--
[C13] PHENYLALANINEPhenylalanineME6460156140C02057--
PHENYLALANINEPhenylalanineME6461706140C02057--
CORTICOSTERONECorticosteroneME6460895753C02140--
2-METHYLMALEATECitraconic acidME646029643798C02226--
5-METHYLCYTOSINE5-MethylcytosineME64605165040C02376--
ARGININEArginineME6460636322C02385--
CHENODEOXYCHOLATEChenodeoxycholic acidME64608110133C02528--
GLUCURONOLACTONEGlucuronolactoneME646111439782C02670--
LAURIC ACIDLauric acidME6461313893C02679--
N-ACETYL-L-LEUCINEN-AcetylleucineME64614875619C02710--
3-HYDROXYBENZALDEHYDE3-HydroxybenzaldehydeME646036101C03067--
N-AMIDINO-L-ASPARTATEGuanidinosuccinic acidME646153439918C03139--
FORMYL-L-METHIONINEN-FormylmethionineME6461086995182C03145--
1-HYDROXY-2-NAPHTHOATE1-Hydroxy-2-naphthoateME6460216844C03203--
3-HYDROXYBENZYL ALCOHOL3-Hydroxybenzyl alcoholME646037102C03351--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME64614974839C03519--
(2-AMINOETHYL)PHOSPHONATECiliatineME646011339C03557--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME64613994214C03619--
2`,4`-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME6460236990C03663--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6460319378C03672--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME64615414349C03710--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME6461781066C03722--
S-CARBOXYMETHYL-L-CYSTEINES-Carboxymethyl-cysteineME646188193653C03727--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6460351662C03761--
17BETA-HYDROXYANDROSTAN-3-ONE5alpha-DihydrotesosteroneME64602010635C03917--
THYROTROPIN RELEASING HORMONEThyrotropin releasing hormoneME646195638678C03958--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6460339903C03990--
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATEDehydroepiandrosterone sulfateME64603412594C04555--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME64601894141C05284--
HOMOCYSTEINEHomocysteineME646125778C05330--
SELENOMETHIONINESelenomethionineME64618915103C05335--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6460501826C05635--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME64602611266C05984--
2-HYDROXYQUINOLINE2-HydroxyquinolineME6460286038C06338--
CAPRYLIC ACIDCaprylic acidME646079379C06423--
MYRISTIC ACIDMyristic acidME64614311005C06424--
ARACHIDIC ACIDArachidic acidME64606110467C06425--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME646105445580C06429--
METHYL VANILLATEMethyl vanillateME64614119844C06672--
PHENYLACETIC ACIDPhenylacetic acidME646169999C07086--
DIETHYLSTILBESTROLDiethylstilbestrolME646102448537C07620--
URSODIOLUrsodeoxycholic acidME64620231401C07880--
AZELAIC ACIDAzelaic acidME6460662266C08261--
BEHENIC ACIDBehenic acidME6460678215C08281--
LIGNOCERIC ACIDLignoceric acidME64613311197C08320--
NERVONIC ACIDNervonic acidME6461555281120C08323--
PALMITOLEIC ACIDPalmitoleic acidME646163445638C08362--
INDICANIndicanME64612692769C08481--
ROSMARINIC ACIDRosmarinic acidME6461855281792C10489--
CYCLOHEPTANECARBOXYLIC ACIDCycloheptanecarboxylic acidME64609215091C12104--
DEOXYCORTICOSTERONE ACETATEDeoxycorticosterone acetateME6460995952C14554--
ASPARTATEAspartic acidME6460655960C16433--
ISOLEUCINEIsoleucineME6461296306C16434--
PROLINEProlineME646176145742C16435--
ASPARAGINEAsparagineME6460646267C16438--
ADIPIC ACIDAdipic acidME646055196CA1042--
SALICYLIC ACIDSalicylic acidME646187338CA1067--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME646048200CA1116--
CIS-11-EICOSENOIC ACIDcis-Gondoic acidME6460855282768CA1166--
SALICYLAMIDESalicylamideME6461865147CA1193--
3-NITRO-L-TYROSINENitrotyrosineME646039235719CA1195--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME64614765065CA1200--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME646146448580CA1210--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME64615292907CA1219--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME64614074706CA1231--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME6460865497181CA1260--
N-FORMYLGLYCINEN-FormylglycineME64615675606CA1268--
TRICOSANOIC ACIDTricosylic acidME64619717085CA1269--
BOC-ALA-OH-ME64607185082CA1333--
BOC-PHE-OH-ME64607677857CA1334--
BOC-PRO-OH-ME64607785083CA1335--
BOC-HIS-OH-ME64607587308CA1336--
BOC-ASP-OH-ME646074302432CA1350--
HEXACOSANOIC ACIDCerotic acidME64612010469CA1352--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6460389307CA1364--
HEPTANOIC ACIDHeptylic acidME6461198094CA1393--
LAUROYLCARNITINECAR 12:0ME64613210427569CA1406--
4-HYDROXY-L-PHENYLGLYCINE4-HydroxyphenylglycineME64604336143CA1445--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME64614570914CA1454--
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME64616585681CA1463--
DIHEXOSE-ME646103-CA1495--
AMINOPENTANOIC ACIDAminopentanoic acidME646060-CA1501--
AMINOHEXANOIC ACIDAminocaproic acidME646058564CA1502--
HEXURONIC ACIDHexuronic acidME646122152867CA1503--
DIMETHYLXANTHINE-ME646104185974CA1507--
AMINOHYDROXYBUTANOIC ACID-ME646059-CA1508--
PENTITOLArabitolME646167827CA1511--
CHOLESTEROL SULFATECholesterol sulfateME64608365076CA1523--
BOC-ASN-ME64607282035---


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
ADENOSINE 5`-TRIPHOSPHATEATPME6462945957C00002--
NICOTINAMIDE ADENINE DINUCLEOTIDENAD+ME64648010897651C00003--
URIDINE 5`-DIPHOSPHATEUDPME6465766031C00015--
FLAVIN ADENINE DINUCLEOTIDEFADME646389643975C00016--
S-ADENOSYL METHIONINES-AdenosylmethionineME64653734755C00019--
ADENOSINE 5`-MONOPHOSPHATEAMPME6462936083C00020--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME646538439155C00021--
GUANOSINE 5`-DIPHOSPHATEGDPME6464118977C00035--
GLYCINEGlycineME646405750C00037--
CYTIDINE 5`-MONOPHOSPHATECMPME6463556131C00055--
CYTIDINE 5`-TRIPHOSPHATECTPME6463566176C00063--
THIAMINE PYROPHOSPHATEThiamine diphosphateME6465591132C00068--
ASCORBATEVitamin CME64630854670067C00072--
UREAUreaME6465741176C00086--
INOSINE 5`-DIPHOSPHATEIDPME6464316831C00104--
URIDINE-5-MONOPHOSPHATEUMPME6465776030C00105--
ANTHRANILATE2-Aminobenzoic acidME646305227C00108--
CYTIDINE 5`-DIPHOSPHATECDPME6463536132C00112--
RIBOSE 5-PHOSPHATERibose 5-phosphateME646534439167C00117--
BIOTINBiotinME646316171548C00120--
GLUTATHIONEGlutathioneME646401124886C00127--
INOSINE 5`-MONOPHOSPHATEIMPME6464328582C00130--
PUTRESCINEPutrescineME6465211045C00134--
ADENINEAdenineME646289190C00147--
NICOTINAMIDENiacinamideME646479936C00153--
CITRATECitric acidME646335311C00158--
ACETOACETATEAcetoacetic acidME64628896C00164--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME646273439176C00170--
THYMINEThymineME6465631135C00178--
CHOLESTEROLCholesterolME6463315997C00187--
ETHANOLAMINEEthanolamineME646385700C00189--
2`-DEOXYADENOSINE 5`-DIPHOSPHATEdADPME646217188966C00206--
MALTOSEMaltoseME646444439186C00208--
ADENOSINEAdenosineME64629060961C00212--
THYMIDINEThymidineME6465615789C00214--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME64623972C00230--
4-METHYL-2-OXOPENTANOATEKetoleucineME64626870C00233--
2`-DEOXYCYTIDINE 5`-MONOPHOSPHATEdCMPME64622113945C00239--
GUANINEGuanineME646409764C00242--
TAURINETaurineME6465551123C00245--
PYRIDOXALPyridoxalME6465241050C00250--
RIBOFLAVINRiboflavinME646533493570C00255--
GLUCONIC ACIDGluconic acidME64639510690C00257--
GLYCERIC ACIDGlyceric acidME646403439194C00258--
HYPOXANTHINEHypoxanthineME646425790C00262--
HOMOSERINEHomoserineME64642112647C00263--
6,7-DIHYDROBIOPTERIN4a-Carbinolamine tetrahydrobiopterinME646284133246C00268--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME646470439197C00270--
MANNOSE-6-PHOSPHATEMannose 6-phosphateME646445439198C00275--
ANILINEAnilineME6463046115C00292--
INOSINEInosineME6464306021C00294--
OROTATEOrotic acidME646494967C00295--
QUINATEQuinic acidME6465276508C00296--
URIDINEUridineME6465756029C00299--
CREATINECreatineME646341586C00300--
ADP-RIBOSEADP-riboseME646297192C00301--
GLUTAMIC ACIDGlutamic acidME64639833032C00302--
GLUTAMINEGlutamineME6463995961C00303--
CYTIDINE 5`-DIPHOSPHOCHOLINECDP-cholineME64635413804C00307--
ISOCITRIC ACIDIsocitric acidME6464331198C00311--
PYRIDOXINEPyridoxineME6465261054C00314--
SPERMIDINESpermidineME6465471102C00315--
CITRULLINECitrullineME6463369750C00327--
2`-DEOXYGUANOSINEDeoxyguanosineME646222187790C00330--
DIHYDROOROTATE4,5-Dihydroorotic acidME646372648C00337--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME64628691493C00345--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME646397439217C00352--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME646392172313C00354--
3,4-DIHYDROXY-L-PHENYLALANINEDOPAME6462406047C00355--
2`-DEOXYADENOSINE 5`-MONOPHOSPHATEdUMPME64621812599C00360--
2`-DEOXYGUANOSINE 5`-DIPHOSPHATEdGDPME646223439220C00361--
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATEdGMPME64622465059C00362--
URATEUric acidME6465721175C00366--
RETINALRetinalME646530638015C00376--
CYTOSINECytosineME646357597C00380--
XANTHINEXanthineME6465831188C00385--
CARNOSINECarnosineME646329439224C00386--
GUANOSINEGuanosineME6464106802C00387--
TRYPTAMINETryptamineME6465681150C00398--
PIPECOLIC ACIDPipecolic acidME646514849C00408--
PROGESTERONEProgesteroneME6465175994C00410--
DIHYDROFOLATEDihydrofolic acidME64637198792C00415--
DEHYDROASCORBATEL-Dehydroascorbic acidME646358210328C00425--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME646276137C00430--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME64648214180C00455--
RETINOLRetinolME646532445354C00473--
GLUTARATEGlutaric acidME646400743C00489--
RAFFINOSERaffinoseME646529439242C00492--
SHIKIMATEShikimic acidME6465458742C00493--
ADPGLUCOSEADP-glucoseME64629616500C00498--
BILIVERDINBiliverdinME6463155280353C00500--
ERYTHRITOLErythritolME646383222285C00503--
FOLIC ACIDFolic acidME6463906037C00504--
CYSTEIC ACIDCysteic acidME64635072886C00506--
DEOXYURIDINEDeoxyuridineME64636313712C00526--
HYDROQUINONEHydroquinoneME646422785C00530--
PYRIDOXAMINEPyridoxamineME6465251052C00534--
TESTOSTERONETestosteroneME6465566013C00535--
CYSTATHIONINECystathionineME646349439258C00542--
HOMOGENTISATEHomogentisic acidME646420780C00544--
SPHINGOMYELINSM 18:1;O2/18:0ME64655053481362C00550--
SPHINGOMYELIN (CATION)SM 18:0;O2/22:1ME64655153481362C00550--
2`-DEOXYADENOSINEDeoxyadenosineME64621613730C00559--
TRIMETHYLAMINETrimethylamineME6465671146C00565--
4-AMINOBENZOATEp-Aminobenzoic acidME646262978C00568--
CYCLOHEXYLAMINECyclohexylamineME6463467965C00571--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6462926076C00575--
GUANIDINOACETATEGuanidoacetic acidME646408763C00581--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME646228439268C00586--
3-PHOSPHOGLYCERIC ACID3-Phosphoglyceric acidME646259724C00597--
XANTHOSINE 5`-MONOPHOSPHATEXMPME64658573323C00655--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6464401549100C00666--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME646546657272C00670--
CHOLIC ACIDCholic acidME646332221493C00695--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME646220150855C00705--
MALATEMalic acidME646443222656C00711--
PTERINPterinME64652073000C00715--
SERINESerineME6465425951C00716--
BETAINEBetaineME646314247C00719--
CORTISOLCortisolME6463385754C00735--
SPERMINESpermineME6465481103C00750--
SQUALENESqualeneME6465525280370C00751--
CORTISONECortisoneME646340222786C00762--
HISTIDINEHistidineME6464166274C00768--
RETINOATERetinoic acidME646531444795C00777--
SEROTONINSerotoninME6465435202C00780--
UROCANATEUrocanic acidME6465781549103C00785--
EPINEPHRINEEpinephrineME6463825816C00788--
CREATININECreatinineME646342588C00791--
CREATININE FROM COMPLEXCreatinineME646343588C00791--
SALICYLIC ACIDSalicylic acidME646539338C00805--
TRYPTOPHANTryptophanME6465696305C00806--
CITRAMALATECitramalic acidME6463341081C00815--
GLUCARIC/GULARIC/SACCHARIC ACIDGlucaric acidME646394607C00818--
OXOMALONATEMesoxalic acidME64649710132C00830--
SPHINGANINESphinganineME64654991486C00836--
THYMIDINE-5`-DIPHOSPHO-GLUCOSEdTDP-glucoseME646562443210C00842--
4-PYRIDOXATE4-Pyridoxic acidME6462716723C00847--
HISTIDINOLL-HistidinolME646417165271C00860--
PANTOTHENIC ACIDPantothenic acidME646499988C00864--
2`-DEOXYCYTIDINEDeoxycytidineME64621913711C00881--
3`-DEPHOSPHO COA3'-Dephospho-CoAME646246444485C00882--
3-METHYLADENINE3-MethyladenineME6462581673C00913--
INDOLE-3-ACETIC ACIDIndoleacetic acidME646427802C00954--
INDOLE-3-ETHANOLTryptophanolME64642810685C00955--
TRYPTOPHANAMIDETryptophanamideME646570439356C00977--
N-ACETYLSEROTONINN-AcetylserotoninME646472903C00978--
TRIGONELLINETrigonellineME6465665570C01004--
PANTOLACTONEPantolactoneME646498439368C01012--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME646278439280C01017--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME646264500C01035--
3,5-DIIODO-L-TYROSINE3,5-Diiodo-L-tyrosineME6462449305C01060--
CYCLOHEXANE-1,3-DIONECyclohexane-1,3-dioneME64634510434C01066--
THIAMINE MONOPHOSPHATEThiamine monophosphateME6465583382778C01081--
3-HYDROXYBUTANOIC ACID3-Hydroxybutyric acidME646253441C01089--
OROTIDINE 5`-MONOPHOSPHATEOrotidylic acidME646495160617C01103--
O-SUCCINYL-L-HOMOSERINEo-SuccinylhomoserineME646496439406C01118--
N-ACETYL-D-GALACTOSAMINEN-Acetyl-D-galactosamineME64646035717C01132--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME64645564969C01152--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME646318186004C01159--
3,4-DIHYDROXYPHENYLACETATE3,4-Dihydroxybenzeneacetic acidME646242547C01161--
CHOLESTA-5,7-DIEN-3BETA-OL7-DehydrocholesterolME646330439423C01164--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6462096238C01176--
3-(4-HYDROXYPHENYL)PYRUVATE4-Hydroxyphenylpyruvic acidME646236979C01179--
RIBULOSE 1,5-BISPHOSPHATERibulose 1,5-bisphosphateME646535123658C01182--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME646234873C01198--
B-ALANYL-N(PAI)-METHYL-L-HISTIDINEAnserineME646312112072C01262--
HEXOSEHexoseME646414206C01381--
ALANINEAlanineME6462985950C01401--
BENZOINBenzoinME6463138400C01408--
CYSTINECystineME646351595C01420--
CAFFEIC ACIDCaffeic acidME6463261549111C01481--
FERULATEtrans-Ferulic acidME646388445858C01494--
TYROSINETyrosineME6465716057C01536--
ALLANTOINAllantoinME646299204C01551--
HIPPURATEHippuric acidME646415464C01586--
MELATONINMelatoninME646446896C01598--
ORNITHINEOrnithineME6464936262C01602--
PHTHALATEPhthalic acidME6465131017C01606--
STACHYOSEStachyoseME646553439531C01613--
KYNURENIC ACIDKynurenic acidME6464353845C01717--
KYNURENINEKynurenineME646436161166C01718--
LUMICHROMELumichromeME6464415326566C01727--
METHIONINEMethionineME6464476137C01733--
XANTHOSINEXanthosineME64658464959C01762--
DEOXYRIBOSEDeoxyriboseME6463629828112C01801--
HOMOCYSTINEHomocystineME64641910010C01817--
THYROXINEThyroxineME6465645819C01829--
5-OXO-PROLINEPyroglutamic acidME646282499C01879--
DETHIOBIOTINDethiobiotinME646364445027C01909--
GLYCOCHOLATEGlycocholic acidME64640610140C01921--
PREGNENOLONEPregnenoloneME6465168955C01953--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME64623011914C01983--
2-AMINOPHENOL2-AminophenolME6462275801C01987--
PHENYLALANINEPhenylalanineME6465076140C02057--
CORTICOSTERONECorticosteroneME6463375753C02140--
4-NITROCATECHOL4-NitrocatecholME6462703505109C02235--
5-VALEROLACTONE5-ValerolactoneME64628310953C02240--
N-METHYLANILINEN-MethylanilineME6464847515C02299--
PHENYLHYDRAZINEPhenylhydrazineME6465097516C02304--
PHOSPHOCREATINEPhosphocreatineME646510587C02305--
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)2',3' cyclic CMPME64635268934C02354--
5-METHYLCYTOSINE5-MethylcytosineME64628165040C02376--
ARGININEArginineME6463066322C02385--
N-ETHYLMALEIMIDEN-EthylmaleimideME6464784362C02441--
3,3`,5-TRIIODO-L-THYRONINELiothyronineME6462375920C02465--
ALPHA-TOCOPHEROLalpha-TocopherolME64630014985C02477--
1-METHYLADENOSINE1-MethyladenosineME64621027476C02494--
2-HYDROXYPYRIDINE2-HydroxypyridineME6462318871C02502--
ESTRADIOL 17 ALPHAEstradiol-17alphaME64638468570C02537--
N1-ACETYLSPERMINEN1-AcetylspermineME646458916C02567--
O-ACETYL-L-CARNITINECAR 2:0ME6464881C02571--
3-DEHYDROCARNITINE3-DehydrocarnitineME6462506991982C02636--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME646426397C02693--
N-ACETYL-L-LEUCINEN-AcetylleucineME64646875619C02710--
N-ACETYLPUTRESCINEN-AcetylputrescineME646471122356C02714--
PHENYLETHANOLAMINE2-HydroxyphenethylamineME6465081000C02735--
10-HYDROXYDECANOATE10-Hydroxydecanoic acidME64620674300C02774--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME64625489C02794--
5-HYDROXYPENTANOIC ACID5-Hydroxyvaleric acidME64628025945C02804--
CORTISOL 21-ACETATECortisol 21-acetateME6463395744C02821--
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME64626796215C02835--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME64654497536C02886--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME64626118189C02946--
2,6-DIHYDROXYPYRIDINE2,6-DihydroxypyridineME64621569371C03056--
3-HYDROXYBENZALDEHYDE3-HydroxybenzaldehydeME646252101C03067--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME64627978168C03088--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME646376675C03114--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME646464439917C03137--
N-AMIDINO-L-ASPARTATEGuanidinosuccinic acidME646475439918C03139--
FORMYL-L-METHIONINEN-FormylmethionineME6463916995182C03145--
2,4-DIHYDROXYPTERIDINELumazineME64621310250C03212--
2,3-DIAMINOPROPIONIC ACID2,3-Diaminopropionic acidME646212364C03401--
METHIONINE SULFOXIMINEMethionine sulfoximineME64644816118C03510--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME64646974839C03519--
THIOPURINE S-METHYLETHER6-MethylthiopurineME6465605778C03542--
(2-AMINOETHYL)PHOSPHONATECiliatineME646204339C03557--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6462359378C03672--
5ALPHA-PREGNANE-3,20-DIONE5alpha-Pregnane-3,20-dioneME64627492810C03681--
BIS(2-ETHYLHEXYL)PHTHALATEBis(2-ethylhexyl)phthalateME6463178343C03690--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME6465231066C03722--
S-CARBOXYMETHYL-CYSTEINES-Carboxymethyl-cysteineME646541193653C03727--
TRANS-CYCLOHEXANE-1,2-DIOLtrans-Cyclohexane-1,2-diolME64656592886C03739--
GLUCOSAMINATEGlucosaminic acidME64639673563C03752--
DOPAMINEDopamineME646380681C03758--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6462511662C03761--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME646456440120C03793--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6462489903C03990--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME64645992180C04083--
N,N-DIMETHYL-1,4-PHENYLENEDIAMINEN,N-Dimethyl-1,4-phenylenediamineME6464577472C04203--
OCTOPAMINEOctopamineME646489440266C04227--
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDENicotinamide purin-6-ol-dinucleotideME646481440334C04423--
DEOXYCHOLATEDeoxycholic acidME646360222528C04483--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME64627565110C04677--
LEUCENOLMimosineME646438440473C04771--
5`-DEOXYADENOSINE5'-DeoxyadenosineME646272439182C05198--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME64620794141C05284--
PHENETHYLAMINEPhenylethylamineME6465051001C05332--
GULONO-1,4-LACTONED-GulonolactoneME646412165105C05410--
VITAMIN D2Vitamin D2ME6465815280793C05441--
VITAMIN D3Vitamin D3ME64658210883523C05443--
4-HYDROXY-3-METHOXYMANDELICVanillylmandelic acidME646265736172C05584--
3-METHOXYTYRAMINE3-MethoxytyramineME6462561669C05587--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6462771826C05635--
INDOXYLIndoxylME64642950591C05658--
PHOSPHONOACETATEPhosphonoacetateME646512546C05682--
3`-CMP3'-CMPME64624566535C05822--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME64622911266C05984--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME6462337124C06325--
QUINOLIN-2-OL2-HydroxyquinolineME6465286038C06338--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME646379445580C06429--
BIURETBiuretME6463197913C06555--
4-METHYLCATECHOL4-MethylcatecholME6462699958C06730--
DIETHANOLAMINEDiethanolamineME6463688113C06772--
PHENYLACETIC ACIDPhenylacetic acidME646506999C07086--
THEOPHYLLINETheophyllineME6465572153C07130--
PENICILLAMINEPenicillamineME6465024727C07418--
CAFFEINECaffeineME6463272519C07481--
7-AMINOCEPHALOSPORANIC ACID7-Aminocephalosporanic acidME646287441328C07756--
URSODIOLUrsodeoxycholic acidME64657931401C07880--
AZELAIC ACIDAzelaic acidME6463112266C08261--
SUBERIC ACIDSuberic acidME64655410457C08278--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME64620879034C08317--
SALSOLINOLSalsolinolME64654054456C09642--
ROSMARINIC ACIDRosmarinic acidME6465365281792C10489--
METHYL JASMONATEMethyl jasmonateME6464515281929C11512--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME64647613017C11519--
CYCLOHEX-1-ENECARBOXYLIC ACIDCyclohex-1-enecarboxylic acidME64634469470C12101--
CAPECITABINECapecitabineME64632860953C12650--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME646483123953C13051--
DEOXYCORTICOSTERONEDeoxy-corticosteroneME6463616166C14554--
25-HYDROXYCHOLESTEROL25-HydroxycholesterolME64622553477807C15519--
ASPARTATEAspartic acidME6463105960C16433--
ISOLEUCINEIsoleucineME6464346306C16434--
PROLINEProlineME646518145742C16435--
VALINEValineME6465806287C16436--
ASPARAGINEAsparagineME6463096267C16438--
LEUCINELeucineME6464396106C16439--
LYSINELysineME6464425962C16440--
MONO-METHYL GLUTARATEMonomethyl glutaric acidME64645473917CA1015--
ENKEPHALINE, (D-ALA)2-LEU-ME646381-CA1037--
DEOXYCARNITINE3-DehydroxycarnitineME646359725CA1059--
MEVALOLACTONEMevalolactoneME646453-CA1091--
2-METHYLGLUTARIC ACID2-Methylglutaric acidME64623212046CA1107--
HOMOCYSTEINE THIOLACTONEL-Homocysteine thiolactoneME646418134505CA1198--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME64646665065CA1200--
BOC-GLY-OH-ME64632278288CA1201--
3-UREIDOPROPIONIC ACIDUreidopropionic acidME646260111CA1202--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME646491106CA1209--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME646463448580CA1210--
ETHYL 3-INDOLE ACETATEEthyl 3-indoleacetateME646386-CA1213--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME646473-CA1214--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME64647492907CA1219--
3,4-DIHYDROXYPHENYL GLYCOL3,4-DihydroxyphenylglycolME64624191528CA1222--
OLEAMIDEOleamideME6464905283387CA1223--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME64645074706CA1231--
2,5-DIMETHYLPYRAZINE2,5-DimethylpyrazineME64621431252CA1233--
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE3beta-Hydroxy-5alpha-pregnan-20-oneME64624992787CA1234--
3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-...TetrahydrocortisolME6462475864CA1235--
CYS-GLY, OXIDIZEDCYS-GLY, oxidizedME646347333293CA1248--
N-OLEOYLGLYCINEN-Oleoyl glycineME6464866436908CA1254--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME6463335497181CA1260--
METHYL ACETOACETATEMethylacetoacetic acidME6464497757CA1265--
PROMETRYNPrometrynME6465194929CA1277--
DIMETHYL MALEATEDimethyl maleateME64637512215CA1310--
3-METHYL-2-OXINDOLE3-MethyloxindoleME646257150923CA1325--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME6464777533CA1328--
BOC-ALA-OH-ME64632085082CA1333--
BOC-PRO-OH-ME64632585083CA1335--
BOC-HIS-OH-ME64632387308CA1336--
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME646387317638CA1342--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME64640716219441CA1349--
BOC-ASP-OH-ME646321302432CA1350--
METHYL PARABENMethylparabenME6464527456CA1357--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6462559307CA1364--
1-OLEOYL-RAC-GLYCEROLMG 18:1ME6462115319879CA1373--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME64620516219892CA1375--
NORMETANEPHRINENormetanephrineME6464871237CA1379--
URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE-ME646573-CA1401--
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETALGlyceraldehyde 3-phosphate diethyl acetalME646402-CA1402--
6-HYDROXYDOPAMINE6-HydroxydopamineME6462854624CA1404--
LAUROYLCARNITINECAR 12:0ME64643710427569CA1406--
4-HYDROXY-3-METHOXYPHENYLGLYCOLVanylglycolME64626610805CA1410--
GAMMA-BUTYROLACTONEgamma-ButyrolactoneME6463937302CA1420--
BOC-LYS-OH-ME6463247018769CA1424--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME64646270914CA1454--
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME64650185681CA1463--
OPHTHALMIC ACIDOphthalmic acidME6464927018721CA1475--
PARAOXON-METHYLParaoxon-methylME64650013708CA1476--
N-NITROSODIETHANOLAMINEN-NitrosodiethanolamineME64648514223CA1477--
ADENOSINE 2`,3`-CYCLIC MONOPHOSPHATE2',3' cyclic AMPME646291101812CA1486--
CYSTAMINECystamineME6463482915CA1487--
DIETHYL AMINOMALONATEDiethyl aminomalonateME64636981272CA1488--
3,3`-DITHIODIVALINE3,3'-DithiodivalineME646238258527CA1489--
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME64626365138CA1491--
PENTOPYRANOSEPentopyranoseME646504641630CA1493--
DIHEXOSE-ME646370-CA1495--
ADENOSINE DIPHOSPHATEADPME6462956022CA1496--
PHOSPHOGLYCERIC ACIDPhosphoglyceric acidME646511724CA1497--
AMINOBUTANOIC ACIDAminobutyric acidME646301119CA1498--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME64646124139CA1500--
2-AMINO-2-DEOXYHEXOPYRANOSE-ME646226739CA1504--
DIMETHYLXANTHINE-ME646377185974CA1507--
AMINOHYDROXYBUTANOIC ACID-ME646303-CA1508--
PYRIDINE CARBOXYLIC ACID-ME646522-CA1509--
HEXITOLSorbitolME646413453CA1510--
PENTITOLArabitolME646503827CA1511--
GLYCEROL PHOSPHATEsn-Glycero-3-phosphateME646404439162CA1512--
HYDROXYPHENYLACETIC / MANDELIC ACID2-Hydroxyphenylacetic acidME64642411914CA1513--
AMINOHYDROXYBENZOIC ACIDAminohydroxybenzoic acidME646302-CA1514--
HYDROXYBENZOIC ACIDHydroxybenzoic acidME646423135CA1517--
ARG-VAL-TRPArg-Val-TrpME646307-CA1890--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME64646712035CE1310--
N-ACETYL-L-ALANINEN-AcetylalanineME64646588064CE1554--
3,5-DIIODO-L-THYRONINE3,5-DiiodothyronineME646243123675CE6369--
POSSIBLE L-LEUCYL-L-LEUCINE-ME646515-U03237--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)-ME646373-UP0002--
DIACYL-PHOSPHATIDYLCHOLINE-ME646367-UP0012--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (PROBABLY)-ME646374-UP0013--
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)-ME646365-UP0027--
DIACYLGLYCEROPHOSPHOGLYCEROL (POSSIBLY)-ME646366-UP0037--
DIOLEOYLPHOSPHATIDYLCHOLINEPC 18:1/18:1ME6463786437081Z02138--


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