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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Aminoadipic Acidalpha-Aminoadipic acidME706235469-0.61-
3-Methylhistidine3-MethylhistidineME70623664969-0.88-
5'-Methylthioadenosine5'-MethylthioadenosineME706237--0.88-
ArginineArginineME7062396322-0.85-
BetaineBetaineME706240247-0.67-
BilirubinBilirubinME7062415280352-2.38-
CAR 12:0CAR 12:0ME706245--1.3-
CAR 14:1CAR 14:1ME706278--1.57-
CAR 16:0CAR 16:0ME706265--2.83-
CAR 16:0;OCAR 16:0;OHME706280--2.2-
CAR 16:1CAR 16:1ME706247--2.27-
CAR 16:1;OCAR 16:1;OHME706281--1.68-
CAR 18:0CAR 18:0ME706277--3.87-
CAR 18:1CAR 18:1ME706264--3.01-
CAR 18:2CAR 18:2ME706252--2.51-
CAR 18:3CAR 18:3ME706251--2.09-
CAR 2:0CAR 2:0ME706238--0.6-
CAR 3:0CAR 3:0ME706273--0.6-
CAR 4:0CAR 4:0ME706242--0.61-
CAR 4:1;O2CAR DC4:0ME706261--0.65-
CAR 5:0CAR 5:0ME706279--0.65-
CAR 6:0CAR 6:0ME706248--0.68-
CholineCholineME706243305-0.6-
DimethylarginineDimethylarginineME706244123831-0.67-
Guanidinosuccinic AcidGuanidinosuccinic acidME70624697856-0.6-
HistidineHistidineME7062496274-0.9-
LeucineLeucineME7062506106-0.62-
LPC 16:0LPC 16:0ME706253--2.9-
LPC 16:1LPC 16:1ME706254--2.33-
LPC 18:0LPC 18:0ME706255--3.62-
LPC 18:1LPC 18:1ME706256--3.07-
LPC 18:2LPC 18:2ME706257--2.57-
LPC 18:3LPC 18:3ME706258--2.17-
LPC 20:0LPC 20:0ME706259--4.2-
LPC 20:1LPC 20:1ME706260--3.74-
N1-AcetylspermidineN1-AcetylspermidineME706262496-0.79-
NicotinamideNiacinamideME706263936-0.64-
PC 34:2PC 34:2ME706266--6.72-
PC 36:2PC 36:2ME706267--7.73-
PC 36:4PC 36:4ME706268--6.62-
PC O-36:4PC O-36:4ME70626970698779-7.27-
PE 40:5PE 40:5ME706270--6.25-
Pipecolinic AcidPipecolic acidME706271736316-0.61-
Proline BetaineProline betaineME706272115244-0.66-
S-AdenosylmethionineS-AdenosylmethionineME706274--0.88-
SM 36:1;O2SM 36:1;O2ME706282--6.98-
SM 36:2;O2SM 36:2;O2ME706283--6.35-
SM d34:0SM 34:0;O2ME706275--6.36-
SM d34:1SM 34:1;O2ME706276--6.11-


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-Aminoisobutyric AcidAminoisobutyric acidME7062846119-0.6-
2-Hydroxybutyric Acid2-Hydroxybutyric acidME706285--0.6-
3-Hydroxybutanoic Acid3-Hydroxybutyric acidME706286441-0.6-
3-Hydroxymethylglutaric Acid3-Hydroxymethylglutaric acidME70628710329583-0.6-
4-Aminobutyric Acid4-Aminopentanoic acidME706406--0.6-
4-Pyridoxic Acid4-Pyridoxic acidME7062896723-0.61-
5-OxoprolinePyroglutamic acidME706290--0.59-
Acetoacetic AcidAcetoacetic acidME7062916971017-0.61-
Acetylglutamic AcidN-Acetyl-mannosamineME706331--0.87-
AdenineAdenineME706292190-0.61-
ADP-RiboseADP-riboseME706293--0.59-
AlanineAlanineME7062945950-0.6-
AMPAMPME7062956083-0.58-
Ascorbic AcidVitamin CME70629854670067-0.82-
Cholesterol SulfateCholesterol sulfateME70630065076-4.01-
CytidineCytidineME7063036175-0.59-
DG 32:0DG 32:0ME706407--10.73-
ErythroseErythroseME70630594176-0.6-
FA 14:0Myristic acidME706330--3.49-
FA 16:0Palmitic acidME706339--4.16-
FA 16:1Hexadecenoic acidME706340--3.72-
FA 17:1Heptadecenoic acidME706408--4.16-
FA 18:0Stearic acidME706387--4.77-
FA 18:1Octadecenoic acidME706335--4.29-
FA 18:2Octadecadienoic acidME706320--3.87-
FA 18:3Octadecatrienoic acidME706409--3.46-
FA 18:4Octadecatetraenoic acidME706388--3.08-
FA 19:0Nonadecylic acidME706333--4.98-
FA 20:0Arachidic acidME706296--5.48-
FA 20:1Eicosenoic acidME706410--5.1-
FA 20:2Eicosadienoic acidME706411--4.55-
FA 20:4Arachidonic acidME706297--3.8-
FA 21:0Heneicosylic acidME706313--5.83-
FA 22:0Behenic acidME706299--6.36-
FA 22:4Docosatetraenoic acidME706412--4.35-
FA 22:5Docosapentaenoic acidME706304--3.94-
FA 23:0Tricosylic acidME706395--6.7-
FA 24:0Lignoceric acidME706319--7.23-
FA 26:1;O2-ME706413--5.92-
Fructose 6-PhosphateFructose 6-phosphateME70630669507-0.59-
GlucoseGlucoseME7063075793-0.6-
Glucose 6-PhosphateGlucose 6-phosphateME7063085958-0.59-
Glutamic AcidGlutamic acidME70630933032-0.59-
GlutamineGlutamineME7063105961-0.59-
GlutathioneGlutathioneME706311--0.59-
Glycerophosphoinositolsn-Glycero-3-phosphoinositolME706288--0.92-
GSSGOxidized glutathioneME70631211215652-0.59-
HypoxanthineHypoxanthineME706314790-0.92-
InosineInosineME7063156021-0.59-
IsoleucineIsoleucineME706316791-0.6-
Lactic AcidLactic acidME706317612-0.59-
LactoseLactoseME706318294-0.61-
LPE 16:0LPE 16:0ME706321--2.96-
LPE 16:1LPE 16:1ME706322--2.46-
LPE 18:0LPE 18:0ME706323--2.89-
LPE 18:1LPE 18:1ME706324--2.38-
LPE 18:2LPE 18:2ME706325--2.64-
LPE 20:3LPE 20:3ME706326--2.89-
LysineLysineME7063275962-0.61-
Malic AcidMalic acidME706328525-0.86-
Myo-InositolMyo-inositolME706329892-0.6-
NADHNADHME70633221604869-0.6-
O-PhosphoethanolaminePhosphoethanolamineME706334--0.66-
Ophthalmic AcidOphthalmic acidME7063367018721-0.6-
OrnithineOrnithineME7063376262-0.72-
Oxoglutaric Acid2-Oxoglutaric acidME70633851-0.82-
PE 32:0PE 32:0ME706341--7.17-
PE 32:1PE 32:1ME706342--6.47-
PE 32:2PE 32:2ME706343--5.84-
PE 33:1PE 33:1ME706344--7.01-
PE 33:2PE 33:2ME706345--6.31-
PE 34:0PE 34:0ME706346--7.38-
PE 34:1PE 34:1ME706347--7.31-
PE 34:2PE 34:2ME706348--6.64-
PE 34:3PE 34:3ME706349--6.16-
PE 35:1PE 35:1ME706350--7.95-
PE 35:2PE 35:2ME706351--7.17-
PE 36:1PE 36:1ME706352--7.46-
PE 36:2PE 36:2ME706353--7.44-
PE 36:4PE 36:4ME706354--6.66-
PE 36:5PE 36:5ME706355--6.1-
PE 37:4PE 37:4ME706356--7.08-
PE 38:4PE 38:4ME706414--7.56-
PE 38:5PE 38:5ME706357--6.78-
PE 38:6PE 38:6ME706358--6.47-
PE 38:7PE 38:7ME706359--5.85-
PE 40:4PE 40:4ME706360--7.66-
PE 40:6PE 40:6ME706361--7.34-
PE 40:7PE 40:7ME706362--6.63-
PE 42:6PE 42:6ME706363--7.54-
PE O-36:5PE O-36:5ME706415--7.1-
PE O-38:7PE O-38:7ME706416--5.52-
PhenylalaninePhenylalanineME7063646140-0.6-
PI 32:0PI 32:0ME706365--5.62-
PI 32:1PI 32:1ME706366--5.31-
PI 34:0PI 34:0ME706367--6.12-
PI 34:1PI 34:1ME706368--5.95-
PI 34:2PI 34:2ME706369--5.34-
ProlineProlineME706370145742-0.59-
PS 32:0PS 32:0ME706371--5.78-
PS 34:0PS 34:0ME706372--4.33-
PS 34:1PS 34:1ME706373--5.88-
PS 38:3PS 38:3ME706374--6.24-
PS 38:4PS 38:4ME706375--6.08-
PS 38:5PS 38:5ME706376--5.59-
PS 38:6PS 38:6ME706377--5.31-
PS 40:5PS 40:5ME706378--5.94-
PS 40:6PS 40:6ME706379--5.93-
PS 40:8PS 40:8ME706380--6.48-
PS 42:10PS 42:10ME706381--6.06-
Pyruvic acidPyruvic acidME706382--0.9-
S-AdenosylhomocysteineS-AdenosylhomocysteineME706383--0.59-
S-LactoylglutathioneS-LactoylglutathioneME706384119450-0.59-
SorbitolSorbitolME7063855780-0.63-
ST 21:3;O5ST 21:3;O5ME706301--1.05-
ST 21:4;O5ST 21:4;O5ME706302--1.15-
Stachyose HydrateStachyoseME706386439531-0.62-
Succinic AcidSuccinic acidME7063891110-0.81-
TaurineTaurineME7063901123-0.59-
Taurodeoxycholic AcidTaurodeoxycholic acidME706391--0.91-
Taurolithocholic AcidTaurolithocholic acidME706392439763-1.07-
Thiosulfuric Acid-ME706393--0.93-
ThreonineThreonineME7063946288-0.59-
TryptophanTryptophanME7063966305-0.6-
TyrosineTyrosineME7063976057-0.59-
UDP-GlucoseUDP-glucoseME70639853477679-1.01-
UDP-N-AcetylglucosamineUDP-N-acetylglucosamineME706399445675-1.01-
UMPUMPME7064006030-0.59-
Uric AcidUric acidME7064011175-0.85-
UridineUridineME7064026029-0.59-
Urocanic AcidUrocanic acidME706403736715-0.59-
ValineValineME7064041182-0.6-
XanthineXanthineME7064051188-0.79-


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