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Analysis: C18 NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
CL 78:11; [M-2H](2-)@6.24CL 78:11ME198751--6.24-
CL 82:11; [M-2H](2-)@6.91LeucineME198752--6.91-
PC 30:0; [M-Ac-H]-@5.94PC 30:0ME198753--5.94-
PC 32:0; [M-Ac-H]-@6.51PC 32:0ME198754--6.59-
PC 32:0; [M-Ac-H]-@6.59PC 32:0ME198755--6.59-
PC 34:1; [M-Ac-H]-@6.67PC 34:1ME198756--6.67-
PC 34:2; [M-Ac-H]-@6.23PC 34:2ME198757--6.23-
PC 36:0; [M-Ac-H]-@7.69PC 36:0ME198758--7.69-
PC 36:2; [M-Ac-H]-@6.82PC 36:2ME198759--6.82-
PC 36:3; [M-Ac-H]-@6.38PC 36:3ME198760--6.38-
PC 36:4; [M-Ac-H]-@6.13PC 36:4ME198761--6.13-
PC 38:2; [M-Ac-H]-@7.42PC 38:2ME198762--7.42-
PC 38:3; [M-Ac-H]-@7.05PC 38:3ME198763--7.05-
PC 38:4; [M-Ac-H]-@6.79PC 38:4ME198764--6.79-
PC 38:6; [M-Ac-H]-@6.06PC 38:6ME198765--6.06-
PC 40:5; [M-Ac-H]-@6.91PC 40:5ME198766--6.91-
PC 40:6; [M-Ac-H]-@6.71PC 40:6ME198767--6.71-
PE 32:1; [M-H]-@6.22PE 32:1ME198768--6.22-
PE 35:0; [M-H]-@7.54PE 35:0ME198769--7.54-
PE 36:0; [M-H]-@7.82PE 36:0ME198770--7.82-
PE 36:1; [M-H]-@7.40PE 36:1ME198771--7.4-
PE 37:4; [M-H]-@6.68PE 37:4ME198772--6.68-
PE 38:6; [M-H]-@6.18PE 38:6ME198773--6.18-
PE 40:6; [M-H]-@6.90PE 40:6ME198774--6.9-
PG 36:0; [M-H]-@6.97PG 36:0ME198775--6.97-
PI 38:4; [M-H]-@5.99PI 38:4ME198776--5.99-
plasmenyl-PE 36:4; [M-H]-@6.67PE P-36:4 or PE O-36:5ME198777--6.67-
plasmenyl-PE 38:3; [M-H]-@7.41PE P-38:3 or PE O-38:4ME198778--7.41-
plasmenyl-PE 38:5; [M-H]-@6.70PE P-38:5 or PE O-38:6ME198779--6.7-
plasmenyl-PE 38:6; [M-H]-@6.57PE P-38:6 or PE O-38:7ME198780--6.57-


Analysis: C18 POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
CE(16:1); [M+NH4]+@10.83CE 16:1ME198781--10.83-
CE(18:1); [M+NH4]+@11.08CE 18:1ME1987825283632-11.08-
CE(18:2); [M+NH4]+@10.83CE 18:2ME1987835287939-10.83-
CE(18:3); [M+NH4]+@10.64CE 18:3ME1987846436907-10.64-
CE(20:2); [M+NH4]+@11.15CE 20:2ME19878516061338-11.15-
CE(20:3); [M+NH4]+@10.89CE 20:3ME19878614274976-10.89-
CE(20:4); [M+NH4]+@10.66CE 20:4ME1987876479222-10.66-
CE(22:6); [M+NH4]+@10.59CE 22:6ME19878814274978-10.59-
DG 32:0; [M+NH4]+@7.97DG 32:0ME198789--7.97-
DG 34:0; [M+NH4]+@8.45DG 34:0ME198790--8.45-
DG 34:2; [M+NH4]+@7.60DG 34:2ME198791--7.6-
DG 36:1; [M+NH4]+@8.48DG 36:1ME198792--8.48-
DG 36:2; [M+NH4]+@8.14DG 36:2ME198793--8.14-
DG 36:3; [M+NH4]+@7.82DG 36:3ME198794--7.82-
DG 38:5; [M+NH4]+@7.66DG 38:5ME198795--7.66-
lysoPC 16:0; [M+H]+@1.59LPC 16:0ME198897--1.59-
lysoPC 18:0; [M+H]+@2.36LPC 18:0ME198898--2.36-
lysoPC 19:0; [M+H]+@2.82LPC 19:0ME19889924779472-2.82-
lysoPC 20:0; [M+Na]+@3.27LPC 20:0ME19890024779473-3.27-
lysoPE 20:4; [M+H]+@1.44LPE 20:4ME198901--1.44-
MG 17:0; [M+Li]+@3.19MG 17:0ME198796107036-3.19-
MG 18:0; [M+NH4]+@3.73MG 18:0ME19879724699-3.73-
PC 30:0; [M+H]+@5.94PC 30:0ME198798--5.94-
PC 32:0; [M+H]+@6.49PC 32:0ME198799--6.49-
PC 32:0; [M+Na]+@6.55PC 32:0ME198800--6.55-
PC 32:1; [M+Na]+@6.06PC 32:1ME198801--6.06-
PC 33:0; [M+H]+@6.87PC 33:0ME198802--6.87-
PC 34:0; [M+Na]+@7.08PC 34:0ME198803--7.08-
PC 34:3; [M+H]+@5.66PC 34:3ME198804--5.66-
PC 34:4; [M+H]+@5.50PC 34:4ME198805--5.5-
PC 34:4; [M+Na]+@5.54PC 34:4ME198806--5.54-
PC 35:1; [M+H]+@6.93PC 35:1ME198807--6.93-
PC 35:4; [M+H]+@5.74PC 35:4ME198808--5.74-
PC 36:0; [M+H]+@7.67PC 36:0ME198809--7.67-
PC 36:1; [M+H]+@7.22PC 36:1ME198810--7.22-
PC 36:2; [M+H]+@6.84PC 36:2ME198811--6.84-
PC 36:2; [M+Na]+@6.89PC 36:2ME198812--6.89-
PC 36:3; [M+Na]+@6.38PC 36:3ME198813--6.38-
PC 36:4; [M+H]+@5.93PC 36:4ME198814--5.93-
PC 36:4; [M+Na]+@6.01PC 36:4ME198815--6.01-
PC 38:3; [M+H]+@7.00PC 38:3ME198816--7-
PC 38:4; [M+Na]+@6.80PC 38:4ME198817--6.8-
PC 38:5; [M+H]+@6.44PC 38:5ME198818--6.44-
PC 38:6; [M+H]+@6.41PC 38:6ME198819--6.41-
PC 38:6; [M+Na]+@6.08PC 38:6ME198820--6.08-
PC 38:7; [M+H]+@5.48PC 38:7ME198821--5.48-
PC 38:8; [M+H]+@5.47PC 38:8ME198822--5.47-
PC 40:3; [M+H]+@7.50PC 40:3ME198823--7.5-
PC 40:5; [M+H]+@6.86PC 40:5ME198824--6.86-
PC 40:6; [M+H]+@6.75PC 40:6ME198825--6.75-
PC 40:6; [M+Na]+@6.75PC 40:6ME198826--6.75-
PC 42:11; [M+H]+@5.34PC 42:11ME198827--5.34-
PC 42:9; [M+H]+@5.92PC 42:9ME198828--5.92-
PE 33:0; [M+H]+@7.00PE 33:0ME198829--7-
PE 34:0; [M+Na]+@7.30PE 34:0ME198830--7.3-
PE 36:0; [M+H]+@7.81PE 36:0ME198831--7.81-
PE 36:3; [M+Na]+@6.30PE 36:3ME198832--6.3-
PE 36:4; [M+H]+@6.28PE 36:4ME198833--6.28-
PE 38:4; [M+H]+@7.00PE 38:4ME198834--7-
PE 40:6; [M+H]+@6.89PE 40:6ME198835--6.89-
plasmenyl-PC 36:4; [M+Na]+@6.52PC P-36:4 or PC O-36:5ME198902--6.52-
plasmenyl-PC 38:4; [M+Na]+@6.68PC P-38:4 or PC O-38:5ME198903--6.68-
plasmenyl-PE 36:4; [M+H]+@6.67PE P-36:4 or PE O-36:5ME198904--6.67-
plasmenyl-PE 38:4; [M+H]+@7.21PE P-38:4 or PE O-38:5ME198905--7.21-
plasmenyl-PE 38:5; [M+H]+@6.78PE P-38:5 or PE O-38:6ME198906--6.78-
plasmenyl-PE 38:6; [M+H]+@6.56PE P-38:6 or PE O-38:7ME198907--6.56-
plasmenyl-PE 40:6; [M+H]+@7.19PE P-40:6 or PE O-40:7ME198908--7.19-
PS 34:0; [M+H]+@6.57PS 34:0ME198836--6.57-
SM 33:1; [M]+@5.43SM 33:1;O2ME19883752931139-5.43-
SM 34:1; [M]+@5.82SM 34:1;O2ME198839--5.82-
SM 34:1; [M+Na]+@5.82SM 34:1;O2ME198838--5.82-
SM 34:2; [M]+@5.33SM 34:2;O2ME198841--5.33-
SM 34:2; [M+Na]+@5.24SM 34:2;O2ME198840--5.24-
SM 35:1; [M+Na]+@6.04SM 35:1;O2ME198842--6.04-
SM 36:0; [M]+@6.74SM 36:0;O2ME19884352931167-6.74-
SM 36:1; [M]+@6.46SM 36:1;O2ME19884444260139-6.46-
SM 36:2; [M]+@5.96SM 36:2;O2ME198846--5.96-
SM 36:2; [M+Na]+@6.01SM 36:2;O2ME198845--6.01-
SM 37:1; [M]+@6.83SM 37:1;O2ME198847--6.83-
SM 38:1; [M]+@7.10SM 38:1;O2ME198848--7.1-
SM 38:2; [M]+@6.63SM 38:2;O2ME198849--6.63-
SM 39:1; [M]+@7.43SM 39:1;O2ME198850--7.43-
SM 40:1; [M]+@7.67SM 40:1;O2ME198852--7.67-
SM 40:1; [M+Na]+@7.65SM 40:1;O2ME198851--7.65-
SM 40:2; [M]+@7.17SM 40:2;O2ME198853--7.17-
SM 41:1; [M]+@7.95SM 41:1;O2ME198854--7.95-
SM 41:2; [M]+@7.41SM 41:2;O2ME198856--7.41-
SM 41:2; [M+Na]+@7.51SM 41:2;O2ME198855--7.51-
SM 42:1; [M]+@8.17SM 42:1;O2ME19885744260133-8.17-
SM 42:2; [M]+@7.70SM 42:2;O2ME198859--7.7-
SM 42:2; [M+Na]+@7.74SM 42:2;O2ME198858--7.74-
SM 42:4; [M]+@6.87SM 42:4;O2ME198860--6.87-
SM 43:2; [M]+@7.98SM 43:2;O2ME198861--7.98-
TG 40:0; [M+NH4]+@9.52TG 40:0ME198862--9.52-
TG 42:0; [M+Na]+@9.85TG 42:0ME198864--9.85-
TG 42:0; [M+NH4]+@9.86TG 42:0ME198863--9.86-
TG 44:1; [M+NH4]+@9.89TG 44:1ME198865--9.89-
TG 46:0; [M+Na]+@10.35TG 46:0ME198867--10.35-
TG 46:0; [M+NH4]+@10.29TG 46:0ME198866--10.29-
TG 46:1; [M+NH4]+@10.14TG 46:1ME198868--10.14-
TG 46:2; [M+NH4]+@9.92TG 46:2ME198869--9.92-
TG 48:0; [M+NH4]+@10.49TG 48:0ME198870--10.49-
TG 48:1; [M+NH4]+@10.39TG 48:1ME198871--10.39-
TG 48:3; [M+NH4]+@9.93TG 48:3ME198872--9.93-
TG 49:2; [M+NH4]+@10.34TG 49:2ME198873--10.34-
TG 50:0; [M+NH4]+@10.74TG 50:0ME198874--10.74-
TG 50:1; [M+Na]+@10.63TG 50:1ME198876--10.63-
TG 50:1; [M+NH4]+@10.63TG 50:1ME198875--10.63-
TG 50:2; [M+Na]+@10.42TG 50:2ME198878--10.42-
TG 50:2; [M+NH4]+@10.40TG 50:2ME198877--10.4-
TG 50:3; [M+NH4]+@10.20TG 50:3ME198879--10.2-
TG 50:4; [M+NH4]+@9.99TG 50:4ME198880--9.99-
TG 52:1; [M+NH4]+@10.89TG 52:1ME198881--10.89-
TG 52:2; [M+NH4]+@10.64TG 52:2ME198882--10.64-
TG 52:3; [M+NH4]+@10.44TG 52:3ME198883--10.44-
TG 52:4; [M+NH4]+@10.26TG 52:4ME198884--10.26-
TG 52:5; [M+NH4]+@10.10TG 52:5ME198885--10.1-
TG 52:7; [M+NH4]+@9.71TG 52:7ME198886--9.71-
TG 53:0; [M+NH4]+@11.22TG 53:0ME198887--11.22-
TG 53:2; [M+NH4]+@10.83TG 53:2ME198888--10.83-
TG 53:4; [M+NH4]+@10.40TG 53:4ME198889--10.4-
TG 54:0; [M+NH4]+@11.26TG 54:0ME198890--11.26-
TG 54:2; [M+NH4]+@10.90TG 54:2ME198891--10.9-
TG 54:3; [M+NH4]+@10.73TG 54:3ME198892--10.73-
TG 54:4; [M+NH4]+@10.49TG 54:4ME198893--10.49-
TG 54:5; [M+NH4]+@10.32TG 54:5ME198894--10.32-
TG 54:6; [M+NH4]+@10.11TG 54:6ME198895--10.11-
TG 56:5; [M+NH4]+@10.60TG 56:5ME198896--10.6-


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
2-AMINOISOBUTYRIC ACIDAminoisobutyric acidME1989196119---
4-HYDROXYPROLINEcis-4-HydroxyprolineME198930825---
GLYCINEGlycineME198929750---
L-ALANINEAlanineME1989125950---
L-ASPARAGINEAsparagineME1989236267---
L-ASPARTIC ACIDAspartic acidME1989145960---
L-GLUTAMIC ACIDGlutamic acidME19891133032---
L-GLUTAMINEGlutamineME1989155961---
L-HISTIDINEHistidineME1989246274---
L-ISOLEUCINEIsoleucineME1989286306---
L-LEUCINELeucineME1989186106---
L-LYSINELysineME1989165962---
L-METHIONINEMethionineME1989206137---
L-ORNITHINEOrnithineME1989226262---
L-PHENYLALANINEPhenylalanineME1989216140---
L-PROLINEProlineME198910145742---
L-SERINESerineME1989135951---
L-THREONINEThreonineME1989266288---
L-TRYPTOPHANTryptophanME1989276305---
L-TYROSINETyrosineME1989176057---
L-VALINEValineME1989256287---
SARCOSINESarcosineME1989091088---


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