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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 72:4; [M-2H](2-)@9.62CL 72:4ME189801--9.62-
CL 72:5; [M-2H](2-)@9.47CL 72:5ME189802--9.47-
CL 74:7; [M-2H](2-)@6.02CL 74:7ME189803--6.02-
FFA(16:0)Palmitic acidME189804----
FFA(18:0)Stearic acidME1898055281---
FFA(18:1)Octadecenoic acidME189806----
FFA(18:2)Octadecadienoic acidME189807----
FFA(20:0)Arachidic acidME18980810467---
FFA(20:1)Heneicosenoic acidME189809----
FFA(20:2)Eicosadienoic acidME189810----
FFA(20:4) Arachidonic acidArachidonic acidME189811----
FFA(22:0)Behenic acidME1898128215---
FFA(22:1)Docosenoic acidME189813----
FFA(22:2)Docosadienoic acidME189814----
FFA(22:3)Docosatrienoic acidME189815----
FFA(24:0)Lignoceric acidME18981611197---
FFA(24:2)Tetracosadienoic acidME189817----
lysoPE 18:0; [M-H]-@2.44LPE 18:0ME189901--2.44-
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.80Cer 18:1;O2/16:0ME1898185283564-6.8-
N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.37Cer 18:1;O2/18:0ME1898195283565-7.37-
PC 28:0; [M-Ac-H]-@5.19PC 28:0ME189820--5.19-
PC 30:0; [M-Ac-H]-@5.85PC 30:0ME189821--5.85-
PC 30:1; [M-Ac-H]-@5.41PC 30:1ME189822--5.41-
PC 31:0; [M-Ac-H]-@6.20PC 31:0ME189823--6.2-
PC 32:1; [M-Ac-H]-@6.00PC 32:1ME189824--6-
PC 33:0; [M-Ac-H]-@6.80PC 33:0ME189825--6.8-
PC 33:1; [M-Ac-H]-@6.36PC 33:1ME189826--6.36-
PC 34:1; [M-Ac-H]-@6.56PC 34:1ME189827--6.56-
PC 34:2; [M-Ac-H]-@6.17PC 34:2ME189828--6.17-
PC 35:1; [M-Ac-H]-@6.95PC 35:1ME189829--6.95-
PC 36:0; [M-Ac-H]-@7.66PC 36:0ME189830--7.66-
PC 36:1; [M-Ac-H]-@7.15PC 36:1ME189831--7.15-
PC 36:2; [M-Ac-H]-@6.72PC 36:2ME189832--6.72-
PC 36:3; [M-Ac-H]-@6.39PC 36:3ME189833--6.39-
PC 36:4; [M-Ac-H]-@6.15PC 36:4ME189834--6.15-
PC 36:6; [M-Ac-H]-@5.40PC 36:6ME189835--5.4-
PC 38:1; [M-Ac-H]-@7.74PC 38:1ME189836--7.74-
PC 38:2; [M-Ac-H]-@7.30PC 38:2ME189837--7.3-
PC 38:3; [M-Ac-H]-@7.04PC 38:3ME189838--7.04-
PC 38:6; [M-Ac-H]-@5.98PC 38:6ME189839--5.98-
PC 38:7; [M-Ac-H]-@5.59PC 38:7ME189840--5.59-
PC 39:6; [M-Ac-H]-@6.40PC 39:6ME189841--6.4-
PC 40:4; [M-Ac-H]-@7.23PC 40:4ME189842--7.23-
PC 40:5; [M-Ac-H]-@6.91PC 40:5ME189843--6.91-
PC 40:6; [M-Ac-H]-@6.65PC 40:6ME189844--6.65-
PC 42:10; [M-Ac-H]-@5.66PC 42:10ME189845--5.66-
PC 42:6; [M-Ac-H]-@7.31PC 42:6ME189846--7.31-
PC 42:8; [M-Ac-H]-@6.34PC 42:8ME189847--6.34-
PC 44:12; [M-Ac-H]-@5.51PC 44:12ME18984824779134-5.51-
PE 32:0; [M-H]-@6.67PE 32:0ME189849--6.67-
PE 34:3; [M-H]-@5.99PE 34:3ME189850--5.99-
PE 35:0; [M-H]-@7.49PE 35:0ME189851--7.49-
PE 36:3; [M-H]-@6.46PE 36:3ME189852--6.46-
PE 36:5; [M-H]-@5.88PE 36:5ME189853--5.88-
PE 36:6; [M-H]-@5.37PE 36:6ME189854--5.37-
PE 37:4; [M-H]-@6.63PE 37:4ME189855--6.63-
PE 38:1; [M-H]-@7.83PE 38:1ME189856--7.83-
PE 38:2; [M-H]-@7.46PE 38:2ME189857--7.46-
PE 38:3; [M-H]-@7.19PE 38:3ME189858--7.19-
PE 40:4; [M-H]-@7.33PE 40:4ME189859--7.33-
PE 40:5; [M-H]-@7.04PE 40:5ME189860--7.04-
PE 40:9; [M-H]-@5.49PE 40:9ME189861--5.49-
PE 41:6; [M-H]-@7.15PE 41:6ME189862--7.15-
PE 42:7; [M-H]-@6.92PE 42:7ME189863--6.92-
PE 42:9; [M-H]-@6.06PE 42:9ME189864--6.06-
PE 44:10; [M-H]-@6.30PE 44:10ME189865--6.3-
PE 44:12; [M-H]-@5.63PE 44:12ME1898669546797-5.63-
PG 32:0; [M-H]-@5.77PG 32:0ME189867--5.77-
PG 34:1; [M-H]-@5.82PG 34:1ME189868--5.82-
PG 34:2; [M-H]-@5.42PG 34:2ME189869--5.42-
PG 36:0; [M-H]-@6.89PG 36:0ME189870--6.89-
PG 36:2; [M-H]-@5.94PG 36:2ME189871--5.94-
PG 36:3; [M-H]-@5.62PG 36:3ME189872--5.62-
PG 36:4; [M-H]-@5.41PG 36:4ME189873--5.41-
PG 36:5; [M-H]-@5.03PG 36:5ME189874--5.03-
PG 38:4; [M-H]-@6.01PG 38:4ME189875--6.01-
PG 38:5; [M-H]-@5.54PG 38:5ME189876--5.54-
PG 38:6; [M-H]-@5.34PG 38:6ME189877--5.34-
PG 40:6; [M-H]-@5.95PG 40:6ME189878--5.95-
PG 40:7; [M-H]-@5.16PG 40:7ME189879--5.16-
PG 40:8; [M-H]-@4.64PG 40:8ME189880--4.64-
PG 42:10; [M-H]-@4.64PG 42:10ME189881--4.64-
PG 44:11; [M-H]-@4.73PG 44:11ME189882--4.73-
PG 44:12; [M-H]-@4.49PG 44:12ME18988352927240-4.49-
PI 36:4; [M-H]-@5.22PI 36:4ME189884--5.22-
PI 38:4; [M-H]-@5.85PI 38:4ME189885--5.85-
plasmenyl-PE 32:0; [M-H]-@7.02PE P-32:0ME189902--7.02-
plasmenyl-PE 34:0; [M-H]-@7.40PE P-34:0ME189903--7.4-
plasmenyl-PE 34:1; [M-H]-@7.06PE P-34:1ME189904--7.06-
plasmenyl-PE 34:2; [M-H]-@6.65PE P-34:2ME189905--6.65-
plasmenyl-PE 36:2; [M-H]-@7.24PE P-36:2ME189906--7.24-
plasmenyl-PE 38:2; [M-H]-@7.75PE P-38:2ME189907--7.75-
plasmenyl-PE 38:3; [M-H]-@7.49PE P-38:3ME189908--7.49-
plasmenyl-PE 40:4; [M-H]-@7.62PE P-40:4ME189909--7.62-
PS 34:1; [M-H]-@5.99PS 34:1ME189886--5.99-
PS 34:2; [M-H]-@5.30PS 34:2ME189887--5.3-
PS 36:4; [M-H]-@5.31PS 36:4ME189888--5.31-
PS 38:4; [M-H]-@5.93PS 38:4ME189889--5.93-
PS 38:6; [M-H]-@5.21PS 38:6ME189890--5.21-
PS 40:4; [M-H]-@6.42PS 40:4ME189891--6.42-
PS 40:6; [M-H]-@5.88PS 40:6ME189892--5.88-
PS 40:7; [M-H]-@5.32PS 40:7ME189893--5.32-
PS 42:10; [M-H]-@4.78PS 42:10ME189894--4.78-
PS 42:11; [M-H]-@4.37PS 42:11ME189895--4.37-
PS 42:7; [M-H]-@5.97PS 42:7ME189896--5.97-
PS 42:9; [M-H]-@5.05PS 42:9ME189897--5.05-
PS 44:10; [M-H]-@5.32PS 44:10ME189898--5.32-
PS 44:11; [M-H]-@4.88PS 44:11ME189899--4.88-
PS 44:12; [M-H]-@4.67PS 44:12ME18990046891812-4.67-


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
DG 32:0; [M+NH4]+@7.89DG 32:0ME189910--7.89-
DG 34:0; [M+NH4]+@8.41DG 34:0ME189911--8.41-
DG 36:0; [M+NH4]+@8.88DG 36:0ME189912--8.88-
DG 36:1; [M+NH4]+@8.47DG 36:1ME189913--8.47-
DG 36:2; [M+NH4]+@8.09DG 36:2ME189914--8.09-
DG 36:3; [M+NH4]+@7.79DG 36:3ME189915--7.79-
DG 36:4; [M+NH4]+@7.57DG 36:4ME189916--7.57-
DG 37:4; [M+NH4]+@7.84DG 37:4ME189917--7.84-
DG 38:3; [M+NH4]+@8.31DG 38:3ME189918--8.31-
DG 38:4; [M+NH4]+@8.02DG 38:4ME189919--8.02-
DG 38:5; [M+NH4]+@7.67DG 38:5ME189920--7.67-
DG 38:6; [M+NH4]+@7.47DG 38:6ME189921--7.47-
DG 40:6; [M+NH4]+@7.97DG 40:6ME189922--7.97-
DG 40:7; [M+NH4]+@7.54DG 40:7ME189923--7.54-
DG 42:10; [M+NH4]+@7.07DG 42:10ME189924--7.07-
DG 44:12; [M+NH4]+@6.99DG 44:12ME1899259543971-6.99-
lysoPC 16:0; [M+H]+@1.80LPC 16:0ME190020--1.8-
lysoPC 19:0; [M+H]+@2.95LPC 19:0ME19002124779472-2.95-
lysoPC 20:3; [M+Na]+@1.47LPC 20:3ME190022--1.47-
lysoPC 22:6; [M+H]+@1.42LPC 22:6ME19002310415542-1.42-
lysoPE 16:0; [M+H]+@1.69LPE 16:0ME190024--1.69-
lysoPE 18:0; [M+H]+@2.48LPE 18:0ME190025--2.48-
lysoPE 18:1; [M+H]+@1.84LPE 18:1ME190026--1.84-
lysoPE 20:4; [M+H]+@1.37LPE 20:4ME190027--1.37-
lysoPE 22:6; [M+H]+@1.29LPE 22:6ME190028--1.29-
MG 17:0; [M+Li]+@3.16MG 17:0ME189926107036-3.16-
PA 42:9; [M+Na]+@4.71PA 42:9ME189927--4.71-
PC 18:0; [M+Na]+@1.93PC 18:0ME189928--1.93-
PC 32:0; [M+H]+@6.61PC 32:0ME189929--6.61-
PC 34:3; [M+H]+@6.62PC 34:3ME189930--6.62-
PC 34:4; [M+H]+@6.14PC 34:4ME189931--6.14-
PC 38:4; [M+H]+@8.51PC 38:4ME189932--8.51-
PC 38:5; [M+Na]+@6.46PC 38:5ME189933--6.46-
PC 40:10; [M+H]+@5.56PC 40:10ME189934--5.56-
PC 40:7; [M+H]+@6.97PC 40:7ME189935--6.97-
PC 40:8; [M+Na]+@5.82PC 40:8ME189936--5.82-
PC 40:9; [M+Na]+@5.44PC 40:9ME189937--5.44-
PC 42:11; [M+H]+@5.82PC 42:11ME189938--5.82-
PC 42:7; [M+H]+@6.71PC 42:7ME189939--6.71-
PC 48:6; [M+Na]+@8.55PC 48:6ME189940--8.55-
PC 50:6; [M+Na]+@9.07PC 50:6ME189941--9.07-
PE 21:4; [M+H]+@1.46PE 21:4ME189942--1.46-
PE 32:1; [M+H]+@6.25PE 32:1ME189943--6.25-
PE 34:1; [M+H]+@6.85PE 34:1ME189944--6.85-
PE 34:2; [M+H]+@6.43PE 34:2ME189945--6.43-
PE 35:1; [M+H]+@7.17PE 35:1ME189946--7.17-
PE 36:0; [M+H]+@7.91PE 36:0ME189947--7.91-
PE 36:1; [M+H]+@7.46PE 36:1ME189948--7.46-
PE 36:2; [M+H]+@6.99PE 36:2ME189949--6.99-
PE 36:4; [M+H]+@6.34PE 36:4ME189950--6.34-
PE 37:6; [M+H]+@6.02PE 37:6ME189951--6.02-
PE 38:4; [M+H]+@7.03PE 38:4ME189952--7.03-
PE 38:5; [M+H]+@6.52PE 38:5ME189953--6.52-
PE 38:6; [M+H]+@6.26PE 38:6ME189954--6.26-
PE 38:7; [M+H]+@5.63PE 38:7ME189955--5.63-
PE 40:6; [M+H]+@6.87PE 40:6ME189956--6.87-
PE 40:7; [M+H]+@6.40PE 40:7ME189957--6.4-
PE 40:8; [M+H]+@5.96PE 40:8ME189958--5.96-
PE 42:6; [M+H]+@7.49PE 42:6ME189959--7.49-
PE 42:8; [M+H]+@6.55PE 42:8ME189960--6.55-
plasmenyl-PC 18:0; [M+Na]+@1.66PC P-18:0ME190029--1.66-
plasmenyl-PC 32:0; [M+Na]+@7.03PC P-32:0ME190030--7.03-
plasmenyl-PC 34:1; [M+Na]+@7.17PC P-34:1ME190031--7.17-
plasmenyl-PE 32:1; [M+H]+@6.62PE P-32:1ME190032--6.62-
plasmenyl-PE 36:0; [M+H]+@8.22PE P-36:0ME190033--8.22-
plasmenyl-PE 36:1; [M+H]+@7.75PE P-36:1ME190034--7.75-
plasmenyl-PE 36:3; [M+H]+@6.94PE P-36:3ME190035--6.94-
plasmenyl-PE 36:4; [M+H]+@6.69PE P-36:4ME190036--6.69-
plasmenyl-PE 36:5; [M+H]+@6.32PE P-36:5ME190037--6.32-
plasmenyl-PE 38:1; [M+H]+@8.25PE P-38:1ME190038--8.25-
plasmenyl-PE 38:4; [M+H]+@7.24PE P-38:4ME190039--7.24-
plasmenyl-PE 38:5; [M+H]+@7.02PE P-38:5ME190040--7.02-
plasmenyl-PE 38:6; [M+H]+@6.58PE P-38:6ME190041--6.58-
plasmenyl-PE 40:5; [M+H]+@7.34PE P-40:5ME190042--7.34-
plasmenyl-PE 40:6; [M+H]+@7.20PE P-40:6ME190043--7.2-
plasmenyl-PE 42:6; [M+H]+@7.79PE P-42:6ME190044--7.79-
PS 40:5; [M+Na]+@6.07PS 40:5ME189961--6.07-
SM 30:1; [M]+@4.42SM 30:1;O2ME189962--4.42-
SM 33:1; [M+Na]+@5.55SM 33:1;O2ME18996352931139-5.55-
SM 34:1; [M]+@5.86SM 34:1;O2ME189964--5.86-
SM 34:2; [M+Na]+@5.44SM 34:2;O2ME189965--5.44-
SM 35:2; [M]+@5.76SM 35:2;O2ME189966--5.76-
SM 36:1; [M]+@6.55SM 36:1;O2ME18996744260139-6.55-
SM 36:2; [M]+@6.01SM 36:2;O2ME189968--6.01-
SM 37:1; [M]+@6.90SM 37:1;O2ME189969--6.9-
SM 37:2; [M]+@6.44SM 37:2;O2ME189970--6.44-
SM 38:1; [M]+@7.17SM 38:1;O2ME189971--7.17-
SM 40:1; [M+Na]+@7.86SM 40:1;O2ME189972--7.86-
SM 40:2; [M]+@7.27SM 40:2;O2ME189973--7.27-
SM 41:1; [M]+@8.08SM 41:1;O2ME189974--8.08-
SM 41:2; [M]+@7.72SM 41:2;O2ME189975--7.72-
SM 42:1; [M+Na]+@8.33SM 42:1;O2ME18997644260133-8.33-
SM 42:2; [M+Na]+@7.85SM 42:2;O2ME189977--7.85-
SM 42:4; [M]+@6.95SM 42:4;O2ME189978--6.95-
SM 44:2; [M+Na]+@8.32SM 44:2;O2ME189979--8.32-
TG 40:0; [M+NH4]+@9.47TG 40:0ME189980--9.47-
TG 46:0; [M+NH4]+@10.35TG 46:0ME189981--10.35-
TG 46:1; [M+NH4]+@10.12TG 46:1ME189982--10.12-
TG 48:0; [M+NH4]+@10.57TG 48:0ME189983--10.57-
TG 48:1; [M+NH4]+@10.36TG 48:1ME189984--10.36-
TG 48:2; [M+NH4]+@10.14TG 48:2ME189985--10.14-
TG 48:3; [M+NH4]+@9.89TG 48:3ME189986--9.89-
TG 49:1; [M+NH4]+@10.45TG 49:1ME189987--10.45-
TG 50:0; [M+NH4]+@10.79TG 50:0ME189988--10.79-
TG 50:1; [M+NH4]+@10.57TG 50:1ME189989--10.57-
TG 50:2; [M+NH4]+@10.37TG 50:2ME189990--10.37-
TG 50:3; [M+NH4]+@10.16TG 50:3ME189991--10.16-
TG 50:4; [M+NH4]+@9.95TG 50:4ME189992--9.95-
TG 52:0; [M+NH4]+@11.01TG 52:0ME189993--11.01-
TG 52:1; [M+NH4]+@10.79TG 52:1ME189994--10.79-
TG 52:2; [M+NH4]+@10.60TG 52:2ME189995--10.6-
TG 52:3; [M+NH4]+@10.40TG 52:3ME189996--10.4-
TG 52:4; [M+NH4]+@10.21TG 52:4ME189997--10.21-
TG 52:6; [M+Na]+@9.83TG 52:6ME189998--9.83-
TG 53:0; [M+NH4]+@11.15TG 53:0ME189999--11.15-
TG 54:1; [M+NH4]+@11.05TG 54:1ME190000--11.05-
TG 54:3; [M+NH4]+@10.66TG 54:3ME190001--10.66-
TG 54:4; [M+NH4]+@10.45TG 54:4ME190002--10.45-
TG 54:5; [M+NH4]+@10.36TG 54:5ME190003--10.36-
TG 54:6; [M+NH4]+@10.22TG 54:6ME190004--10.22-
TG 54:7; [M+NH4]+@10.04TG 54:7ME190005--10.04-
TG 56:4; [M+NH4]+@10.82TG 56:4ME190006--10.82-
TG 56:6; [M+NH4]+@10.54TG 56:6ME190007--10.54-
TG 56:7; [M+NH4]+@10.27TG 56:7ME190008--10.27-
TG 56:8; [M+NH4]+@10.09TG 56:8ME190009--10.09-
TG 58:10; [M+NH4]+@10.10TG 58:10ME190010--10.1-
TG 58:6; [M+NH4]+@10.77TG 58:6ME190011--10.77-
TG 58:7; [M+NH4]+@10.52TG 58:7ME190012--10.52-
TG 58:8; [M+NH4]+@10.37TG 58:8ME190013--10.37-
TG 58:9; [M+NH4]+@10.18TG 58:9ME190014--10.18-
TG 60:10; [M+NH4]+@10.30TG 60:10ME190015--10.3-
TG 60:12; [M+NH4]+@9.99TG 60:12ME190016--9.99-
TG 62:12; [M+NH4]+@10.21TG 62:12ME190017--10.21-
TG 62:14; [M+NH4]+@9.83TG 62:14ME190018--9.83-
TG 66:18; [M+NH4]+@9.69TG 66:18ME1900199546569-9.69-


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