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Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
135.036@6.09, provisional ID = Homocysteine-ME594846--3.6-
1-Methyladenosine1-MethyladenosineME59480627476-9.19-
1-Methylnicotinamide1-Methyl nicotinamideME594807457-26.57-
299.2813@1.17, provisional ID = SPB 18:1;O2-ME594866--1.55-
323.2824@1.13, provisional ID = NAE 18:2-ME594823--1.53-
325.2973@1.13, provisional ID = NAE 18:1-ME594863--1.52-
367.2674@7.75, provisional ID = CAR 14:2-ME594813--10.42-
3-Methylhistamine3-MethylhistamineME59480869520-26.59-
3-Methylhistidine3-MethylhistidineME59480964969-12.13-
441.355@7.97, provisional ID = CAR 18:1-0H-ME594811--10.48-
4-Aminobutyric Acid4-Aminopentanoic acidME594814--9.35-
4-Guanidinobutyric Acid4-Guanidinobutanoic acidME594815500-11.7-
4-Imidazoleacetic AcidImidazoleacetic acidME59481696215-9.71-
526.4679@1.14, provisional ID = DG(29:0)-ME594837--0.75-
538.3788@7.87, provisional ID = PC O-20:0-ME594829--10.58-
5-Aminopentanoic Acid5-Aminopentanoic acidME594817--13.92-
5'-Methylthioadenosine5'-MethylthioadenosineME594818--2.49-
AdenineAdenineME594820190-4.51-
AdenosineAdenosineME59482160961-3.45-
AlanineAlanineME5948225950-9.66-
ArginineArginineME5948256322-26.58-
BetaineBetaineME594826247-11.29-
BilirubinBilirubinME5948275280352-1-
CAR 12:0CAR 12:0ME594838--11.02-
CAR 14:1CAR 14:1ME594885--10.34-
CAR 16:0CAR 16:0ME594867--10.19-
CAR 16:0;OCAR 16:0;OHME594812--11.43-
CAR 16:1CAR 16:1ME594842--10.23-
CAR 16:1;OCAR 16:1;OHME594810--11.13-
CAR 18:0CAR 18:0ME594882--10.05-
CAR 18:1CAR 18:1ME594864--10.09-
CAR 18:2CAR 18:2ME594851--10.14-
CAR 18:3CAR 18:3ME594850--10.15-
CAR 2:0CAR 2:0ME594819--14.2-
CAR 3:0CAR 3:0ME594874--13.48-
CAR 4:0CAR 4:0ME594828--12.82-
CAR 4:1;O2CAR DC4:0ME594860--13.43-
CAR 5:0CAR 5:0ME594890--12.58-
CAR 6:0CAR 6:0ME594843--11.67-
CarnitineCarnitineME59483010917-14.88-
CholineCholineME594831305-26.57-
CitrullineCitrullineME5948329750-12.13-
CreatinineCreatinineME594834588-8.83-
CytidineCytidineME5948356175-5.56-
Deoxycarnitine3-DehydroxycarnitineME594836134-18.1-
DimethylarginineDimethylarginineME594884123831-26.61-
Glycerophosphocholinesn-Glycero-3-phosphocholineME594880--15.11-
Guanidinosuccinic AcidGuanidinosuccinic acidME59483997856-9.66-
GuanineGuanineME594840764-3.91-
GuanosineGuanosineME5948416802-3.87-
HistamineHistamineME594844774-26.71-
HistidineHistidineME5948456274-11.65-
HypotaurineHypotaurineME594847107812-10.09-
InosineInosineME5948486021-3.31-
L-Monomethylarginine-ME594849--26.59-
LPC 16:0LPC 16:0ME594853--10.31-
LPC 16:1LPC 16:1ME594854--10.41-
LPC 18:0LPC 18:0ME594855--10.11-
LPC 18:1LPC 18:1ME594856--10.2-
LPC 18:2LPC 18:2ME594857--9.99-
LPC 18:3LPC 18:3ME594858--9.99-
LPE 18:2LPE 18:2ME594859--7.09-
LysineLysineME5948525962-26.58-
N1-AcetylspermidineN1-AcetylspermidineME594861496-26.59-
NicotinamideNiacinamideME594862936-2.43-
OrnithineOrnithineME5948656262-26.25-
PC 34:2PC 34:2ME594868--8.44-
PC 36:2PC 36:2ME594869--8.34-
PC 36:4PC 36:4ME594870--8.25-
PC O-36:4PC O-36:4ME59482470698779-9.03-
PhosphocholineCholine phosphateME5948711014-19.69-
Pipecolinic AcidPipecolic acidME594872736316-9.88-
Proline BetaineProline betaineME594873115244-11.73-
S-AdenosylmethionineS-AdenosylmethionineME594875--22.02-
SM 36:1;O2SM 36:1;O2ME594881--9.33-
SM 36:2;O2SM 36:2;O2ME594879--9.32-
SM d34:0SM 34:0;O2ME594877--9.32-
SM d34:1SM 34:1;O2ME594878--9.52-
ST 21:4;O5ST 21:4;O5ME594833--1.01-
SuccinoadenosineSuccinyladenosineME59488320849086-8.68-
Succinylaminoimidazole carboxamide riboside-ME594876--8.83-
ThiamineThiamineME594886--26.55-
TrimethyllysineN-6-TrimethyllysineME594887440121-26.6-
TyramineTyramineME5948885610-11.37-
UreaUreaME5948891176-2.81-
XanthineXanthineME5948911188-2.43-


Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
100.0159@6.61, provisional ID = Succinic Anhydride-ME595064--8.8-
116.0839@1.28, provisional ID = FA 6:0-ME594935--1.53-
119.9889@3.19, provisional ID = Mercaptopyruvic Ac...-ME594981--4.08-
122.0369@1.22, provisional ID = 3-Hydroxybenzaldeh...-ME594905--1.88-
128.0584@7.62, provisional ID = 5,6-Dihydrothymine-ME594916--3.82-
153.0098@7.06, provisional ID = 3-Sulfinoalanine-ME594910--5.34-
164.047@1.24, provisional ID = Phenylpyruvic Acid-ME595029--1.12-
167.0274@4.08, provisional ID = Quinolinic Acid-ME594902--8.7-
168.0416@1.21, provisional ID = Homogentisic Acid-ME594964--1.16-
184.0734@1.29, provisional ID = 4-Hydroxy-3-Methox...-ME594911--1.53-
188.105@6.27, provisional ID = FA 9:1;O2-ME594892--8.62-
197.0033@7.65, provisional ID = Selenomethionine-ME595057--7.18-
197.0603@4.55, provisional ID = Dopa-ME594946--4.4-
226.1931@1.12, provisional ID = FA 14:1-ME594986--1.44-
240.2092@1.09, provisional ID = FA 15:1-ME594894--1.44-
244.2037@1.18, provisional ID = FA 14:0;O-ME594900--1.47-
296.1846@1.15, provisional ID = FA 20:8-ME594917--0.85-
298.2511@1.14, provisional ID = FA 18:1;O-ME595053--1.45-
2-Aminoadipic Acidalpha-Aminoadipic acidME594897469-10.25-
2-Aminoisobutyric AcidAminoisobutyric acidME5948986119-9.15-
2-Hydroxybutyric Acid2-Hydroxybutyric acidME594899--2.28-
2-Methylcitric Acid2-Methylcitric acidME594901439681-9.47-
308.0302@8.03, provisional ID = dUMP-ME594947--7.11-
312.2293@1.17, provisional ID = FA 18:2;O2-ME594895--1.5-
314.0604@8.14, provisional ID = N-FormyGAR (FGAR)-ME594991--10.42-
334.226@1.15, provisional ID = 14,15-Dehydro-Leuko...-ME594896--1.48-
346.2143@1.29, provisional ID = ST 21:3;O4-ME594939--1.6-
348.2052@1.18, provisional ID = FA 24:10-ME594929--1.47-
358.1116@6.22, provisional ID = Lactobionic Acid-ME594970--7.92-
361.2565@1.18, provisional ID = NA 22:5;O2 or NAE ...-ME594927--1.56-
391.2473@1.07, provisional ID = 4-Hydroxyphenylret...-ME594912--0.87-
391.3009@1.13, provisional ID = NA 24:4;O2-ME595001--1.53-
3-Aminoisobutyric Acid3-Aminoisobutanoic acidME59490364956-9.18-
3-Hydroxyanthranilic Acid3-Hydroxyanthranilic acidME59490486-1.43-
3-Hydroxybutanoic Acid3-Hydroxybutyric acidME594906441-2.39-
3-Hydroxymethylglutaric Acid3-Hydroxymethylglutaric acidME59490710329583-8.42-
3-Phosphoglyceric Acid3-Phosphoglyceric acidME594908--11.07-
404.2182@1.05, provisional ID = ST 23:4;O6-ME594965--1.48-
426.18@1.22, provisional ID = Win 55,212-2-ME595083--1.22-
4-Pyridoxic Acid4-Pyridoxic acidME5949136723-1.68-
504.185@7.23, provisional ID = Raffinose-ME594942--8.25-
525.2863@5.31, provisional ID = LPE 22:6-ME594977--6.89-
553.3163@6.27, provisional ID = LPE 24:6-ME594978--2.7-
582.2521@3.34, provisional ID = Biliverdin-ME594934--2.62-
5-Hydroxyisouric Acid5-Hydroxyisouric acidME594914--1.66-
5-OxoprolinePyroglutamic acidME594915--6.43-
624.5716@1.11, provisional ID = Cholesteryl Palmit...-ME594937--1.39-
72.0211@2.17, provisional ID = Methylglyoxal-ME594983--2.83-
731.4973@2.12, provisional ID = PS 32:2-ME595038--1.39-
733.5018@2, provisional ID = PS 32:1-ME595037--1.38-
741.5249@3.97, provisional ID = PE 36:3-ME595013--5.17-
757.4841@4.03, provisional ID = PE 38:9-ME595023--1.45-
757.5637@4.42, provisional ID = PE 37:2-ME595025--1.57-
759.5059@2.36, provisional ID = PS 34:2-ME595041--1.68-
76.016@3.26, provisional ID = Glycolic Acid-ME594961--3.67-
789.5278@3.72, provisional ID = PE O-40:8;O-ME595043--4.98-
835.5359@4.22, provisional ID = PE 44:12-ME595026--4.58-
851.555@3.96, provisional ID = PS 41:5-ME595027--3.26-
Acetoacetic AcidAcetoacetic acidME5949196971017-2.74-
AcetylcysteineN-AcetylcysteineME594987--2.73-
Acetylglutamic AcidN-Acetyl-mannosamineME594988--8.85-
ADPADPME5949206022-11.38-
ADP-RiboseADP-riboseME594921--8.5-
AllantoinAllantoinME594922204-2.24-
AMPAMPME5949246083-10.98-
Argininosuccinic AcidArgininosuccinic acidME59492816950-9.73-
Ascorbic AcidVitamin CME59493054670067-2.72-
AsparagineAsparagineME5949316267-9.68-
Aspartic AcidAspartic acidME5949325960-9.27-
ATPATPME59493344224003-11.57-
Cholesterol SulfateCholesterol sulfateME59493665076-0.85-
Citric AcidCitric acidME594938311-9.53-
Cysteineglutathione DisulfideCysteine-glutathione disulfideME59494053477713-11.41-
Cytidine diphosphate cholineCDP-cholineME594941--13.15-
Dehydroascorbic AcidL-Dehydroascorbic acidME594943835-1.68-
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME594944--2.88-
ErgothioneineErgothioneineME5949493032311-10.68-
ErythroseErythroseME59495094176-4.08-
FA 14:0Myristic acidME594985--1.44-
FA 16:0Palmitic acidME594999--1.42-
FA 16:1Hexadecenoic acidME595000--1.43-
FA 17:1Heptadecenoic acidME594893--1.43-
FA 18:0Stearic acidME595061--1.41-
FA 18:1Octadecenoic acidME594996--1.42-
FA 18:2Octadecadienoic acidME594973--1.42-
FA 18:3Octadecatrienoic acidME594923--1.43-
FA 18:4Octadecatetraenoic acidME595062--1.43-
FA 20:0Arachidic acidME594925--2.66-
FA 20:1Eicosenoic acidME594918--1.4-
FA 20:2Eicosadienoic acidME594948--1.41-
FA 20:4Arachidonic acidME594926--1.41-
FA 22:5Docosapentaenoic acidME594945--1.41-
Flavin Adenine DinucleotideFADME594951--8.54-
Fructose 6-PhosphateFructose 6-phosphateME59495269507-11.44-
Galacturonic AcidGalacturonic acidME594953445929-4.8-
GlucosamineGlucosamineME594954439213-9.23-
GlucoseGlucoseME5949555793-3.8-
Glucose 6-PhosphateGlucose 6-phosphateME5949565958-11.18-
Glutamic AcidGlutamic acidME59495733032-9.58-
GlutamineGlutamineME5949585961-9.97-
GlutathioneGlutathioneME594962--9.4-
Glycerophosphoinositolsn-Glycero-3-phosphoinositolME594909--8.27-
Glycerophosphoserinesn-Glycero-3-phosphoserineME594959--8.91-
GlycineGlycineME594960750-9.94-
GSSGOxidized glutathioneME59496311215652-11.2-
HypoxanthineHypoxanthineME594966790-3.27-
Indoxylsulfuric acidIndoxyl sulfateME594967--0.88-
IsoleucineIsoleucineME594968791-8.23-
Lactic AcidLactic acidME594969612-2.75-
LactoseLactoseME594971294-4.07-
LeucineLeucineME5949726106-7.99-
LPE 16:0LPE 16:0ME594974--7.34-
LPE 16:1LPE 16:1ME594975--7.39-
LPE 18:0LPE 18:0ME594979--7.2-
LPE 18:1LPE 18:1ME594976--7.24-
Malic AcidMalic acidME594980525-8.27-
MethionineMethionineME5949826137-7.99-
Myo-InositolMyo-inositolME594984892-6.33-
N-Acetylaspartic AcidN-Acetylaspartic acidME59498965065-8.08-
N-Acetylneuraminic AcidN-Acetylneuraminic acidME594990439197-7.68-
NADHNADHME59499221604869-8.57-
Nicotinamide MononucleotideNicotinamide ribotideME59499314180-8.27-
Nicotinic AcidNicotinic acidME594994--2.29-
O-PhosphoethanolaminePhosphoethanolamineME594995--15.55-
Ophthalmic AcidOphthalmic acidME5949977018721-9.76-
Oxoglutaric Acid2-Oxoglutaric acidME59499851-7.69-
Pantothenic AcidPantothenic acidME595002988-6.17-
PE 32:0PE 32:0ME595003--6.59-
PE 32:1PE 32:1ME595004--6.59-
PE 32:2PE 32:2ME595005--6.58-
PE 33:1PE 33:1ME595014--6.59-
PE 34:0PE 34:0ME595006--6.56-
PE 34:1PE 34:1ME595007--5.31-
PE 34:2PE 34:2ME595008--5.3-
PE 35:1PE 35:1ME595015--6.55-
PE 35:2PE 35:2ME595016--6.55-
PE 36:1PE 36:1ME595009--5.22-
PE 36:2PE 36:2ME595010--5.21-
PE 36:4PE 36:4ME595011--5.04-
PE 36:5PE 36:5ME595012--5.05-
PE 38:4PE 38:4ME595017--4.92-
PE 38:5PE 38:5ME595018--4.94-
PE 38:7PE 38:7ME595020--1.7-
PE 40:6PE 40:6ME595021--4.81-
PE 40:7PE 40:7ME595022--4.78-
PE 42:6PE 42:6ME595024--1.59-
PE O-38:7PE O-38:7ME595019--1.72-
PhenylalaninePhenylalanineME5950286140-7.53-
PI 32:0PI 32:0ME595030--2.61-
PI 32:1PI 32:1ME595031--2.59-
PI 34:0PI 34:0ME595032--2.59-
PI 34:1PI 34:1ME595033--2.59-
PI 34:2PI 34:2ME595034--2.53-
ProlineProlineME595035145742-10.37-
PS 32:0PS 32:0ME595036--1.37-
PS 34:0PS 34:0ME595039--5.23-
PS 34:1PS 34:1ME595040--1.68-
PS 38:3PS 38:3ME595044--1.28-
PS 38:4PS 38:4ME595045--4.66-
PS 38:5PS 38:5ME595047--3.85-
PS 38:6PS 38:6ME595042--3.34-
PS 40:6PS 40:6ME595046--4.58-
PS 40:8PS 40:8ME595048--1.66-
PS 42:10PS 42:10ME595049--1.65-
PterinPterinME59505073000-3.25-
Pyrrole-2-Carboxylic AcidPyrrole-2-carboxylic acidME59505112473-2.21-
Pyruvic acidPyruvic acidME595052--1.94-
SaccharopineSaccharopineME595056160556-11.78-
S-AdenosylhomocysteineS-AdenosylhomocysteineME595054--8.66-
SerineSerineME5950585951-9.49-
S-LactoylglutathioneS-LactoylglutathioneME595055119450-9.26-
SorbitolSorbitolME5950595780-7.69-
Stachyose HydrateStachyoseME595060439531-8.76-
Succinic AcidSuccinic acidME5950631110-8.35-
SucroseSucroseME5950655988-4.07-
Sulfite-ME5950661099-1.33-
TaurineTaurineME5950671123-6.01-
Taurodeoxycholic AcidTaurodeoxycholic acidME595068--1.16-
Taurolithocholic AcidTaurolithocholic acidME595069439763-1.48-
Thiosulfuric Acid-ME595070--6.6-
ThreonineThreonineME5950716288-9.13-
ThymidineThymidineME595072--1.55-
TryptophanTryptophanME5950736305-7.27-
TyrosineTyrosineME5950746057-7.69-
UDPUDPME5950756031-10.97-
UDP-GlucoseUDP-glucoseME59507653477679-7.83-
UDP-N-AcetylglucosamineUDP-N-acetylglucosamineME595077445675-7.79-
UMPUMPME5950786030-10.25-
Uric AcidUric acidME5950791175-3.15-
UridineUridineME5950806029-2.19-
Urocanic AcidUrocanic acidME595081736715-3.31-
ValineValineME5950821182-8.75-


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