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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
AAA-ME221622----
Ac-OrnN-AcetylornithineME221600----
ADMADimethylarginineME221601----
ADMA / Arg-ME221623----
AlaAlanineME221579----
alpha-AAAAminoadipic acidME221602----
ArgArginineME221580----
Arg/(Arg+Orn)-ME221624----
AsnAsparagineME221581----
AspAspartic acidME221582----
BCAA-ME221625----
c4-OH-Procis-4-HydroxyprolineME221603----
CarnosineCarnosineME221604----
CitCitric acidME221583----
Cit / Arg-ME221626----
Cit / Orn-ME221627----
CreatinineCreatinineME221605----
DOPADOPAME221606----
DopamineDopamineME221607----
DOPA/Tyr-ME221628----
Essential AA-ME221629----
Fisher ratio-ME221630----
GlnGlutamineME221584----
GluGlutamic acidME221585----
Glucogenic AA-ME221632----
GlucogenicRTI-ME221633----
Glu/GlnGlu-GlnME221631----
Glutaminolysis-ME221634----
GlyGlycineME221586----
Gly / ArgGly-ArgME221635----
Gly / GlnGly-GlnME221636----
Gly / HisGly-HisME221637----
Gly / SerGly-SerME221638----
Gylcolysis-ME221639----
HisHistidineME221587----
HistamineHistamineME221608----
IleIsoleucineME221588----
KynurenineKynurenineME221609----
Kynurenine / Trp-ME221640----
LeuLeucineME221589----
(Leu+Glu)/GlnLeu-Glu-GlnME221621----
LysLysineME221590----
MetMethionineME221591----
Met-SOMethionine sulfoxideME221610----
Met-SO / Met-ME221641----
Nitro-TyrNitrotyrosineME221611----
Non essential AA-ME221642----
OrnOrnithineME221592----
Orn / Arg-ME221643----
Orn / Ser-ME221644----
PEAPalmitoyl-EAME221612----
PhePhenylalanineME221593----
ProProlineME221594----
PutrescinePutrescineME221613----
Putrescine / Orn-ME221645----
SDMASymmetric dimethylarginineME221614----
SDMA / Arg-ME221646----
SerSerineME221595----
SerotoninSerotoninME221615----
Serotonin / Trp-ME221647----
SpermidineSpermidineME221616----
Spermidine / Putrescine-ME221648----
SpermineSpermineME221617----
Spermine / Spermidine-ME221649----
t4-OH-Protrans-4-HydroxyprolineME221618----
TaurineTaurineME221619----
ThrThreonineME221596----
Thr / SerThr-SerME221650----
Total AA-ME221651----
total DMADimethylarginineME221620----
Total DMA / Arg-ME221652----
TrpTryptophanME221597----
TyrTyrosineME221598----
Tyr / PheTyr-PheME221653----
ValValineME221599----


Analysis: Isocratic POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
C0CarnitineME221654----
C10CAR 10:0ME221655----
C10:1CAR 10:1ME221656----
C10:2CAR 10:2ME221657----
C12CAR 12:0ME221658----
C12:1CAR 12:1ME221660----
C12 / C10-ME221800----
C12 / C12:1-ME221801----
C12 / C8-ME221802----
C12-DCCAR DC12:0ME221659----
C14CAR 14:0ME221661----
C14:1CAR 14:1ME221662----
C14:1-OHCAR 14:1;OHME221663----
C14:1-OH / C10-ME221804----
C14:2CAR 14:2ME221664----
C14:2-OHCAR 14:2;OHME221665----
C14 / C16:1-ME221803----
C16CAR 16:0ME221666----
C16:1CAR 16:1ME221668----
C16:1-OHCAR 16:1;OHME221669----
C16:2CAR 16:2ME221670----
C16:2-OHCAR 16:2;OHME221671----
C16 / C16:1-ME221805----
C16-OHCAR 16:0ME221667----
C18CAR 18:0ME221672----
C18:1CAR 18:1ME221673----
C18:1-OHCAR 18:1;OHME221674----
C18:2CAR 18:2ME221675----
C18 / C18:1-ME221806----
C2CAR 2:0ME221676----
C2 / C0-ME221807----
(C2+C3) / C0-ME221799----
C3CAR 3:0ME221677----
C3:1CAR 3:1ME221680----
C3 / C4-ME221808----
C3-DC (C4-OH)CAR DC3:0ME221678----
C3-OHCAR 3:0;OHME221679----
C4CAR 4:0ME221681----
C4:1CAR 4:1ME221682----
C4 / C0-ME221809----
C4 / C5-ME221810----
C5CAR 5:0ME221684----
C5:1CAR 5:1ME221687----
C5:1-DCCAR DC5:1ME221688----
C5-DC (C6-OH)CAR DC5:0ME221689----
C5-M-DCCAR DC5:0;3MeME221685----
C5-OH (C3-DC-M)CAR 5:0;OHME221686----
C6:1CAR 6:1ME221690----
C6 (C4:1-DC)CAR 6:0ME221683----
C7-DCCAR DC7:0ME221691----
C8CAR 8:0ME221692----
C9CAR 9:0ME221693----
C9 / C10:2-ME221811----
C9 / C14-ME221812----
C9 / C14:1-OH-ME221813----
C9 / C16:1-OH-ME221814----
CPT-I ratio-ME221815----
lysoPC a C14:0LPC 14:0ME221694----
lysoPC a C16:0LPC 16:0ME221695----
lysoPC a C16:0 / lysoPC a C16:1-ME221816----
lysoPC a C16:1LPC 16:1ME221696----
lysoPC a C17:0LPC 17:0ME221697----
lysoPC a C18:0LPC 18:0ME221698----
lysoPC a C18:1LPC 18:1ME221699----
lysoPC a C18:2LPC 18:2ME221700----
lysoPC a C20:3LPC 20:3ME221701----
lysoPC a C20:4LPC 20:4ME221702----
lysoPC a C20:4 / lysoPC a C20:3-ME221817----
lysoPC a C24:0LPC 24:0ME221703----
lysoPC a C26:0LPC 26:0ME221704----
lysoPC a C26:1LPC 26:1ME221705----
lysoPC a C28:0LPC 28:0ME221706----
lysoPC a C28:1LPC 28:1ME221707----
MUFA (PC)-ME221818----
MUFA (PC) / SFA (PC)-ME221819----
PC aa C24:0PC 24:0ME221708----
PC aa C26:0PC 26:0ME221709----
PC aa C28:1PC 28:1ME221710----
PC aa C28:1 / PC aa C38:1-ME221820----
PC aa C28:1 / PC aa C40:2-ME221821----
PC aa C30:0PC 30:0ME221711----
PC aa C30:2PC 30:2ME221712----
PC aa C32:0PC 32:0ME221713----
PC aa C32:1PC 32:1ME221714----
PC aa C32:2PC 32:2ME221715----
PC aa C32:3PC 32:3ME221716----
PC aa C34:1PC 34:1ME221717----
PC aa C34:2PC 34:2ME221718----
PC aa C34:3PC 34:3ME221719----
PC aa C34:4PC 34:4ME221720----
PC aa C36:0PC 36:0ME221721----
PC aa C36:1PC 36:1ME221722----
PC aa C36:2PC 36:2ME221723----
PC aa C36:3PC 36:3ME221724----
PC aa C36:3 / PC aa C36:4-ME221822----
PC aa C36:4PC 36:4ME221725----
PC aa C36:5PC 36:5ME221726----
PC aa C36:6PC 36:6ME221727----
PC aa C38:0PC 38:0ME221728----
PC aa C38:1PC 38:1ME221729----
PC aa C38:3PC 38:3ME221730----
PC aa C38:4PC 38:4ME221731----
PC aa C38:5PC 38:5ME221732----
PC aa C38:6PC 38:6ME221733----
PC aa C40:1PC 40:1ME221734----
PC aa C40:2PC 40:2ME221735----
PC aa C40:3PC 40:3ME221736----
PC aa C40:3 / PC aa C42:5-ME221823----
PC aa C40:4PC 40:4ME221737----
PC aa C40:5PC 40:5ME221738----
PC aa C40:5 / PC aa C42:5-ME221824----
PC aa C40:6PC 40:6ME221739----
PC aa C42:0PC 42:0ME221740----
PC aa C42:1PC 42:1ME221741----
PC aa C42:2PC 42:2ME221742----
PC aa C42:4PC 42:4ME221743----
PC aa C42:5PC 42:5ME221744----
PC aa C42:6PC 42:6ME221745----
PC ae C30:0PC O-30:0ME221746----
PC ae C30:1PC O-30:1ME221747----
PC ae C30:2PC O-30:2ME221748----
PC ae C32:1PC O-32:1ME221749----
PC ae C32:1 / PC ae C34:1-ME221825----
PC ae C32:2PC O-32:2ME221750----
PC ae C34:0PC O-34:0ME221751----
PC ae C34:1PC O-34:1ME221752----
PC ae C34:2PC O-34:2ME221753----
PC ae C34:3PC O-34:3ME221754----
PC ae C36:0PC O-36:0ME221755----
PC ae C36:1PC O-36:1ME221756----
PC ae C36:2PC O-36:2ME221757----
PC ae C36:3PC O-36:3ME221758----
PC ae C36:4PC O-36:4ME221759----
PC ae C36:5PC O-36:5ME221760----
PC ae C38:0PC O-38:0ME221761----
PC ae C38:1PC O-38:1ME221762----
PC ae C38:2PC O-38:2ME221763----
PC ae C38:3PC O-38:3ME221764----
PC ae C38:4PC O-38:4ME221765----
PC ae C38:5PC O-38:5ME221766----
PC ae C38:6PC O-38:6ME221767----
PC ae C40:1PC O-40:1ME221768----
PC ae C40:2PC O-40:2ME221769----
PC ae C40:3PC O-40:3ME221770----
PC ae C40:4PC O-40:4ME221771----
PC ae C40:5PC O-40:5ME221772----
PC ae C40:6PC O-40:6ME221773----
PC ae C42:0PC O-42:0ME221774----
PC ae C42:1PC O-42:1ME221775----
PC ae C42:2PC O-42:2ME221776----
PC ae C42:3PC O-42:3ME221777----
PC ae C42:4PC O-42:4ME221778----
PC ae C42:5PC O-42:5ME221779----
PC ae C44:3PC O-44:3ME221780----
PC ae C44:4PC O-44:4ME221781----
PC ae C44:5PC O-44:5ME221782----
PC ae C44:5 / PC ae C42:5-ME221826----
PC ae C44:6PC O-44:6ME221783----
PUFA (PC)-ME221827----
PUFA (PC) / MUFA (PC)-ME221828----
PUFA (PC) / SFA (PC)-ME221829----
SFA (PC)-ME221830----
SM C16:0SM 18:1;O2/16:0ME221789----
SM C16:1SM 18:1;O2/16:1ME221790----
SM C18:0SM 18:1;O2/18:0ME221791----
SM C18:1SM 18:1;O2/18:1ME221792----
SM C20:2SM 18:1;O2/20:2ME221793----
SM C22:3SM 18:1;O2/22:3ME221794----
SM C24:0SM 18:1;O2/24:0ME221795----
SM C24:1SM 18:1;O2/24:1ME221796----
SM C26:0SM 18:1;O2/26:0ME221797----
SM C26:1SM 18:1;O2/26:1ME221798----
SM (OH) C14:1SM 18:1;O2/14:1;OME221784----
SM (OH) C16:1SM 18:1;O2/16:1;OME221785----
SM (OH) C22:1SM 18:1;O2/22:1;OME221786----
SM (OH) C22:2SM 18:1;O2/22:2;OME221787----
SM (OH) C24:1SM 18:1;O2/24:1;OME221788----
Total AC / C0-ME221832----
Total AC-DC / Total AC-ME221833----
Total AC-OH / Total AC-ME221834----
Total lysoPC-ME221835----
Total lysoPC / Total PC-ME221836----
Total PC-ME221837----
Total PC aa-ME221838----
Total PC ae-ME221839----
Total (PC+SM)-ME221831----
Total SM-ME221840----
Total SM-non OH-ME221843----
Total SM-OH-ME221844----
Total SM-OH / Total SM-non OH-ME221845----
Total SM / Total PC-ME221842----
Total SM / Total (SM+PC)-ME221841----


Analysis: Isocratic NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
H1HexoseME221846----


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