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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AdenineAdenineME440969--25.16-
AlanineAlanineME440952--7.19-
Aminomalonic acidAminomalonic acidME440966--16.40-
Aspartic acidAspartic acidME440953--17.65-
CreatinineCreatinineME440981--18.33-
CysteineCysteineME440954--18.45-
GlucoseGlucoseME440975--25.73-
Glucose-6- phosphateGlucose 6-phosphateME440976--33.54-
Glutamic acidGlutamic acidME440955--20.01-
GlutamineGlutamineME440956--23.33-
Glyceric acidGlyceric acidME440977--12.91-
GlycerolGlycerolME440949--11.48-
Glycerol-3-phosphatesn-Glycero-3-phosphateME440978--23.10-
GlycineGlycineME440957--7.66-
GuanineGuanineME440970--29.77-
HypoxanthineHypoxanthineME440971--23.94-
InosineInosineME440972--36.31-
IsoleucineIsoleucineME440958--11.94-
Lactic acidLactic acidME440967--6.21-
LysineLysineME440959--21.94-
Malic acidMalic acidME440968--16.89-
Mannose-6-phosphateMannose 6-phosphateME440979--32.71-
Myo-inositolMyo-inositolME440950--29.18-
ProlineProlineME440960--12.03-
PutrescinePutrescineME440982--22.49-
Pyroglutamic acidPyroglutamic acidME440961--17.59-
RiboseRiboseME440980--20.69-
SerineSerineME440962--13.68-
ThreonineThreonineME440963--14.31-
TyrosineTyrosineME440964--26.59-
UracilUracilME440973--13.07-
UridineUridineME440974--34.53-
ValineValineME440965--9.95-
β-Alaninebeta-AlanineME440951--15.36-


Analysis: None (Direct infusion) POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
PC 14:0/16:0PC 14:0/16:0ME440983---706
PC 16:0/16:0PC 16:0/16:0ME440985---734
PC 16:0/16:1PC 16:0/16:1ME440984---732
PC 16:0/18:0PC 16:0/18:0ME440991---762
PC 16:0/18:1PC 16:0/18:1ME440990---760
PC 16:0/20:3PC 16:0/20:3ME440995---784
PC 16:0/20:4PC 16:0/20:4ME440994---782
PC 16:1/18:1PC 16:1/18:1ME440989---758
PC 18:0/18:0PC 18:0/18:0ME440997---790
PC 18:0/20:0PC 18:0/20:0ME441003---818
PC 18:0/20:1PC 18:0/20:1ME441002---816
PC 18:0/20:2PC 18:0/20:2ME441001---814
PC 18:0/20:3PC 18:0/20:3ME441000---812
PC 18:0/20:4PC 18:0/20:4ME440999---810
PC 18:1/18:1PC 18:1/18:1ME440996---786
PC 18:1/20:4PC 18:1/20:4ME440998---808
PC 18:1/22:0PC 18:1/22:0ME441009---844
PC 18:1/22:1PC 18:1/22:1ME441008---842
PC 18:1/22:2PC 18:1/22:2*ME441007---840
PC 18:1/22:5PC 18:1/22:5ME441006---834
PC 18:1/22:6PC 18:1/22:6ME441005---832
PE 18:1/18:1PE 18:1/18:1ME440986---744
plasmenyl PC 18:2/20:0-ME441004---820
plasmenyl PE 16:0/20:4-ME440987---746
plasmenyl PE 16:0/22:5-ME440992---772
plasmenyl PE 16:0/22:6-ME440988---748
plasmenyl PE 18:0/22:6-ME440993---776


Analysis: None (Direct infusion) NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Cer d18:1/16:0Cer 18:1;O2/16:0ME441010---536
PE 18:0/18:1PE 18:0/18:1ME441011---744
PE 18:0/20:3PE 18:0/20:3ME441019---768
PE 18:0/20:4PE 18:0/20:4ME441018---766
PE 18:0/22:5PE 18:0/22:5ME441024---792
PE 18:1/20:4PE 18:1/20:4ME441017---764
PG 16:0/18:1PG 16:0/18:1ME441012---747
PG 18:0/18:1PG 18:0/18:1ME441020---775
PI 16:0/16:1PI 16:0/16:1ME441025---807
PI 16:0/18:1PI 16:0/18:1ME441029---835
PI 16:1/18:1PI 16:1/18:1ME441027---833
PI 18:0/18:1PI 18:0/18:1ME441032---863
PI 18:0/20:3PI 18:0/20:3ME441034---887
PI 18:0/20:4PI 18:0/20:4ME441033---885
PI 18:1/18:1PI 18:1/18:1ME441031---861
plasmenyl PE 18:0/20:4-ME441013---750
PS 16:0/18:0PS 16:0/18:0ME441016---762
PS 16:0/18:1PS 16:0/18:1ME441015---760
PS 16:1/18:1PS 16:1/18:1ME441014---758
PS 18:0/18:0PS 18:0/18:0ME441023---790
PS 18:0/18:1PS 18:0/18:1ME441022---788
PS 18:0/20:4PS 18:0/20:4ME441026---810
PS 18:0/22:5PS 18:0/22:5ME441030---836
PS 18:0/22:6PS 18:0/22:6ME441028---834
PS 18:1/18:1PS 18:1/18:1ME441021---786


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