Return to study ST002435 main page

Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-AMINO-4-HYDROXYBENZOIC_ACID3-Amino-4-hydroxybenzoic acidME576656--2.2134124-
3-METHYLADENINE3-MethyladenineME576724--6.5052039-
3-UREIDOPROPIONATEUreidopropionic acidME576682--1.8542105-
4-AMINOBUTANOATEgamma-Aminobutyric acidME576650--9.7147134-
4-HYDROXY-L-PROLINEcis-4-HydroxyprolineME576685--9.1174712-
4-IMIDAZOLEACETIC_ACIDImidazoleacetic acidME576730--8.770213-
5,6-DIHYDROURACILDihydrouracilME576666--1.8542105-
5-AMINOPENTANOATE5-Aminopentanoic acidME576658--9.22889649999999-
5-OXO-L-PROLINEPyroglutamic acidME576718--3.1145815-
AcetylcholineAcetylcholineME576737--6.3521869-
ADENINEAdenineME576689--2.580169-
ADENOSINEAdenosineME576725--2.2758106-
ADENOSINE_5'-MONOPHOSPHATEAMPME576709--10.178247-
ALLANTOINAllantoinME576670--1.7370104-
BETA-ALANINEbeta-AlanineME576672--9.6389443-
BETAINEBetaineME576594--10.173788-
C10-CARNITINECAR 10:0ME576717--5.96027-
C14-CARNITINECAR 14:0ME576678--5.3541138-
C2-CARNITINECAR 2:0ME576624--9.5096904-
C3-CARNITINECAR 3:0ME576639--8.7242336-
C4-CARNITINECAR 4:0ME576633--8.0453627-
C5-CARNITINECAR 5:0ME576675--7.5079792-
C8-CARNITINECAR 8:0ME576704--6.2616913-
CARNOSINECarnosineME576739--15.943661-
CHOLESTERYL_ACETATECholesteryl acetateME576638--1.1741331-
CITRULLINECitrullineME576657--10.7719679999999-
CREATINECreatineME576605--9.6389443-
CREATININECreatinineME576600--3.8304237-
CYTOSINECytosineME576628--3.387786-
DEOXYCARNITINE3-DehydroxycarnitineME576636--9.4918609-
GAMMA-LINOLENIC_ACIDgamma-Linolenic acidME576609--1.2632727-
GLYCINEGlycineME576720--9.393807-
GUANIDINOACETATEGuanidoacetic acidME576713--8.8281547-
GUANINEGuanineME576723--2.3025523-
HIPPURATEHippuric acidME576693--1.5039541-
HISTAMINEHistamineME576663--13.152029-
L-ALANINEAlanineME576649--8.8607169-
L-ANSERINEAnserineME576735--17.6878889999999-
L-ARGININEArginineME576637--13.593275-
L-ASPARAGINEAsparagineME576697--9.5408904-
LAUROYLCARNITINECAR 12:0ME576706--5.6393638-
L-CARNITINECarnitineME576597--10.1336759999999-
LEUCINE_NORLEUCINE-ME576612--6.5631454-
L-GLUTAMIC_ACIDGlutamic acidME576673--9.3224945-
L-GLUTAMINEGlutamineME576615--9.8127694-
L-HISTIDINEHistidineME576630--13.557619-
L-LYSINELysineME576651--14.63329-
L-METHIONINEMethionineME576655--6.9490707-
LPC(14:0)LPC 14:0ME576659--10.1113909999999-
LPC(16:0)LPC 16:0ME576593--9.8796237-
LPC(16:1)LPC 16:1ME576632--9.9598507-
LPC(18:0)LPC 18:0ME576595--9.6701446-
LPC(18:1)LPC 18:1ME576603--9.7369988-
LPC(18:2)LPC 18:2ME576602--9.83059669999999-
LPC(18:3)LPC 18:3ME576644--9.897453-
LPC(18:4)LPC 18:4ME576731--9.9420239-
LPC(19:1)LPC 19:1ME576729--8.6083505-
LPC(20:0)LPC 20:0ME576665--9.4829487-
LPC(20:2)LPC 20:2ME576690--9.64785919999999-
LPC(20:3)LPC 20:3ME576640--9.68797159999999-
LPC(20:4)LPC 20:4ME576626--9.6567717-
LPC(22:1)LPC 22:1ME576710--9.3893507-
LPC(22:4)LPC 22:4ME576734--9.5453464-
LPC(22:6)LPC 22:6ME576634--9.5854589-
LPE(16:0)LPE 16:0ME576699--7.0070124-
LPE(18:2)LPE 18:2ME576726--6.9624415-
L-PHENYLALANINEPhenylalanineME576616--6.2675016-
L-PROLINEProlineME576608--8.9231152-
L-SERINESerineME576686--8.9957483-
L-THREONINEThreonineME576660--8.5133504-
L-TRYPTOPHANTryptophanME576620--5.9290724-
L-TYROSINETyrosineME576641--6.696856-
L-VALINEValineME576625--7.5806456-
METHYLGUANIDINEMethylguanidineME576679--4.8713157-
N-ACETYLPUTRESCINEN-AcetylputrescineME576736--8.415296-
NALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME576707--10.3311139999999-
NEPSILON,NEPSILON,NEPSILON-TRIMET-ME576664--17.8899289999999-
NICOTINAMIDENiacinamideME576607--1.6968958-
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME576684--15.796578-
O-ACETYL-L-CARNITINECAR 2:0ME576598--9.5096904-
PAF-C16-ME576610--9.3759799-
PAF-C18-ME576721--9.1664986-
PANTOTHENIC_ACIDPantothenic acidME576648--1.5886375-
PC(21:0)PC 21:0ME576619--9.0759754-
PC(25:0)PC 25:0ME576613--8.16124379999999-
PC(30:0)PC 30:0ME576691--7.3729396-
PC(31:0)PC 31:0ME576708--7.3314854-
PC(32:0)PC 32:0ME576617--7.2913708-
PC(32:1)PC 32:1ME576645--7.2646291-
PC(32:2)PC 32:2ME576705--7.2869145-
PC(33:0)PC 33:0ME576700--7.2454833-
PC(33:2)PC 33:2ME576692--7.2365708-
PC(34:1)PC 34:1ME576601--7.1830853-
PC(34:2)PC 34:2ME576596--7.2009143-
PC(34:3)PC 34:3ME576647--7.2053708-
PC(35:1)PC 35:1ME576671--7.1385145-
PC(35:2)PC 35:2ME576646--7.1474289-
PC(35:3)PC 35:3ME576703--7.1385145-
PC(36:1)PC 36:1ME576611--7.1073163-
PC(36:2)PC 36:2ME576599--7.1117728-
PC(36:3)PC 36:3ME576614--7.1117728-
PC(36:4)PC 36:4ME576622--7.0070124-
PC(36:5)PC 36:5ME576677--7.0350749-
PC(37:4)PC 37:4ME576711--6.9668978-
PC(38:2)PC 38:2ME576667--7.0261622-
PC(38:5)PC 38:5ME576642--6.9490707-
PC(38:6)PC 38:6ME576629--6.9579829-
PC(40:6)PC 40:6ME576669--6.8719769-
PC(40:7)PC 40:7ME576715--6.8764329-
PC(8:0)PC 8:0*ME576695--11.1775579999999-
PC(O-12:0/2:0)PC O-12:0/2:0ME576714--9.8350551-
PC(O-14:0/2:0)PC O-14:0/2:0ME576604--9.5943737-
PC(O-14:1/2:0)PC O-14:1/2:0ME576674--9.68797159999999-
PC(O-16:1/2:0)PC O-16:1/2:0ME576627--9.4383776-
PC(O-16:2/2:0)PC O-16:2/2:0ME576621--9.5453464-
PC(O-16:3/2:0)PC O-16:3/2:0ME576683--9.5943737-
PC(O-18:2/2:0)PC O-18:2/2:0ME576727--9.3447796-
PC(O-18:3/2:0)PC O-18:3/2:0*ME576742--9.2199819-
PC(O-18:4/2:0)PC O-18:4/2:0*ME576662--9.3447796-
PC(O-20:4/2:0)PC O-20:4/2:0*ME576741--9.22444-
PC(O-20:6/2:0)PC O-20:6/2:0*ME576681--9.2734674-
PHOSPHOCHOLINECholine phosphateME576688--17.178262-
REICHSTEINS_SUBSTANCE_S-ME576716--1.3167581-
SARCOSINESarcosineME576661--9.4383776-
SM(32:1)SM 32:1;O2ME576702--8.92757319999999-
SM(32:2)SM 32:2;O2ME576738--8.973463-
SM(33:1)SM 33:1;O2ME576676--8.8607169-
SM(34:0)SM 34:0;O2ME576680--8.801413-
SM(34:1)SM 34:1;O2ME576631--8.801413-
SM(34:2)SM 34:2;O2ME576653--8.8236984-
SM(35:1)SM 35:1;O2ME576732--8.7286901-
SM(36:1)SM 36:1;O2ME576698--8.6752046-
SM(36:2)SM 36:2;O2ME576696--8.6885776-
SM(38:1)SM 38:1;O2ME576733--8.55346499999999-
SM(38:2)SM 38:2;O2ME576719--8.55346499999999-
SM(39:1)SM 39:1;O2ME576740--8.4776942-
SM(40:2)SM 40:2;O2ME576687--8.4286668-
SM(40:3)SM 40:3;O2ME576722--8.4776942-
SM(41:2)SM 41:2;O2ME576701--8.3974691-
SM(42:2)SM 42:2;O2ME576643--8.3662691-
SM(42:3)SM 42:3;O2ME576652--8.3662691-
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME576623--16.4205639999999-
SPERMIDINESpermidineME576728--17.840902-
TAURINETaurineME576606--4.6960907-
ThiamineThiamineME576654--12.679581-
THYMINEThymineME576712--1.5618958-
TRIGONELLINETrigonellineME576618--10.173788-
URACILUracilME576635--1.683525-
URIDINEUridineME576694--1.683525-
UROCANATEUrocanic acidME576668--2.0025938-


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-HYDROXY-4-(METHYLTHIO)BUTYRIC_ACI-ME576758--8.1026959-
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME576759--8.65239399999999-
3-DEHYDROSHIKIMATE3-DehydroshikimateME576767--1.9251204-
3-HYDROXYBENZOATE3-Hydroxybenzoic acidME576764--5.9529968-
3-HYDROXYBUTANOIC_ACID3-Hydroxybutyric acidME576811--2.3217958-
3-HYDROXYPHENYLACETATE3-Hydroxyphenylacetic acidME576801--9.5817172-
3-SULFINO-L-ALANINE3-Sulfino-alanineME576786--1.1661287-
3-UREIDOPROPIONATEUreidopropionic acidME576749--1.139387-
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME576813--4.4554442-
4-METHYL-2-OXO-PENTANOIC_ACIDKetoleucineME576808--8.8155585-
4-METHYL-2-OXOVALERIC_ACIDKetoleucineME576814--9.09322749999999-
5-OXO-L-PROLINEPyroglutamic acidME576804--1.617589-
ADENOSINE_5'-MONOPHOSPHATEAMPME576775--1.4558327-
ALLANTOINAllantoinME576776--0.86050777-
ALPHA-AMINOADIPATEAminoadipic acidME576751--0.86050777-
ALPHA-GLUCOSEGlucoseME576800--0.83822207-
BENZYL_ALCOHOLBenzyl alcoholME576773--9.7657399-
CETOGLUTARATE-ME576805--1.5583434-
CHOLATECholic acidME576768--12.1647079999999-
CITRAMALATECitramalic acidME576748--1.3221222-
CITRATECitric acidME576795--1.4023493-
CITRULLINECitrullineME576789--0.83822207-
CREATINECreatineME576787--0.83376608-
CREATININECreatinineME576747--0.82930775-
CYTIDINE_2',3'-CYCLIC_MONO-PHOS-PHAT-ME576754--1.6621581-
DEOXYCHOLATEDeoxycholic acidME576796--12.806516-
ELAIDIC_ACIDElaidic acidME576769--14.593775-
FORMYL-L-METHIONYL_PEPTIDEN-FormylmethionineME576812--5.6989489-
FUMARATEFumaric acidME576785--1.5939997-
GLUCONIC_ACIDGluconic acidME576788--0.86050777-
GLUCOSE_6-PHOSPHATEGlucose 6-phosphateME576760--0.95982426-
GLUCURONIC_ACIDGlucuronic acidME576783--0.86050777-
GLYCERATEGlyceric acidME576802--0.91844716-
GUANOSINE_5'-MONOPHOSPHATEGMPME576774--1.7869539-
HIPPURATEHippuric acidME576803--7.1118184-
HOMOSERINEHomoserineME576799--0.83822207-
INDOXYL_SULFATEIndoxyl sulfateME576809--8.1561813-
INOSINE_5'-MONOPHOSPHATEIMPME576798--2.139058-
LACTATELactic acidME576770--1.2374412-
L-ARABITOLL-ArabitolME576752--0.8471369-
L-ASPARAGINEAsparagineME576745--0.83376608-
L-ASPARTATEAspartic acidME576772--0.86050777-
L-GLUTAMIC_ACIDGlutamic acidME576766--0.8471369-
L-HISTIDINEHistidineME576757--0.82930775-
LINOLEATELinoleic acidME576753--14.183729-
L-PHENYLALANINEPhenylalanineME576762--3.3781045-
L-SERINESerineME576777--0.83376608-
L-TRYPTOPHANTryptophanME576761--5.2666198-
L-TYROSINETyrosineME576763--1.4736622-
MALATED-Malic acidME576782--1.0413325-
MALONATEMalonic acidME576750--1.1794995-
MANNITOLMannitolME576771--0.83822207-
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-(delta2-Isopentenyl)-adenineME576791--9.0040878-
N-ACETYLGLYCINEN-AcetylglycineME576765--1.175041-
N-ACETYL-L-ASPARTIC_ACIDN-Acetylaspartic acidME576746--1.3221222-
N-ACETYL-L-GLUTAMIC_ACIDN-Acetyl-mannosamineME576784--1.7735831-
N-ACETYL-L-METHIONINEN-AcetylmethionineME576780--6.4610951-
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME576810--8.8423003-
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME576744--0.95982426-
N-ACETYL-TRYPTOPHANN-Acetyl-tryptophanME576815--8.83338539999999-
OROTIC_ACIDOrotic acidME576743--1.5494308-
PALMITATEPalmitic acidME576755--14.428865-
PANTOTHENIC_ACIDPantothenic acidME576793--5.6543783-
RIBOSE_5-PHOSPHATERibose 5-phosphateME576781--0.9642807-
STEARATEStearic acidME576756--15.073351-
SUBERIC_ACIDSuberic acidME576806--8.9091545-
SUCCINATESuccinic acidME576807--1.6577015-
TAURINETaurineME576792--0.83822207-
THYMIDINEThymidineME576779--5.1418239-
TRANS-ACONITATEtrans-Aconitic acidME576794--2.7853231-
URIDINEUridineME576797--1.8582663-
URIDINE-5-MONOPHOSPHATEUMPME576778--1.5984581-
XANTHINEXanthineME576790--1.6220455-


  logo