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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
Arachidonic acidArachidonic acidME215152444899---
CL 72:7; [M-2H](2-)@9.07CL 72:7ME215153--9.07-
CL 72:8; [M-2H](2-)@8.88CL 72:8ME215154--8.88-
CL 78:1; [M-2H](2-)@7.48CL 78:1ME215155--7.48-
CL 78:5; [M-2H](2-)@6.51CL 78:5ME215156--6.51-
FFA(16:0)Palmitic acidME215157----
FFA(18:0)Stearic acidME2151585281---
FFA(18:1)Oleic acidME215159----
FFA(18:2)Octadecadienoic acidME215160----
FFA(20:0)Arachidic acidME21516110467---
FFA(20:1)Heneicosenoic acidME215162----
FFA(20:2)Eicosadienoic acidME215163----
FFA(22:0)Behenic acidME2151648215---
FFA(22:1)Docosenoic acidME215165----
FFA(22:2)Docosadienoic acidME215166----
FFA(24:0)Lignoceric acidME21516711197---
FFA(24:1)Tetracosenoic acidME215168----
FFA(24:2)Tetracosadienoic acidME215169----
lysoPE 18:0; [M-H]-@2.39LPE 18:0ME215217--2.39-
PC 30:1; [M-Ac-H]-@5.54PC 30:1ME215170--5.54-
PC 32:0; [M-Ac-H]-@6.70PC 32:0ME215171--6.7-
PC 32:1; [M-Ac-H]-@6.19PC 32:1ME215172--6.19-
PC 32:2; [M-Ac-H]-@5.67PC 32:2ME215173--5.67-
PC 34:2; [M-Ac-H]-@6.31PC 34:2ME215174--6.31-
PC 34:3; [M-Ac-H]-@5.82PC 34:3ME215175--5.82-
PC 35:4; [M-Ac-H]-@5.95PC 35:4ME215176--5.95-
PC 36:0; [M-Ac-H]-@8.02PC 36:0ME215177--8.02-
PC 36:1; [M-Ac-H]-@7.47PC 36:1ME215178--7.47-
PC 36:2; [M-Ac-H]-@6.96PC 36:2ME215179--6.96-
PC 36:3; [M-Ac-H]-@6.50PC 36:3ME215180--6.5-
PC 36:4; [M-Ac-H]-@6.23PC 36:4ME215181--6.23-
PC 38:2; [M-Ac-H]-@7.60PC 38:2ME215182--7.6-
PC 38:4; [M-Ac-H]-@6.87PC 38:4ME215183--6.87-
PC 38:5; [M-Ac-H]-@6.45PC 38:5ME215184--6.45-
PC 38:6; [M-Ac-H]-@6.05PC 38:6ME215185--6.05-
PC 40:6; [M-Ac-H]-@6.75PC 40:6ME215186--6.75-
PE 32:0; [M-H]-@6.72PE 32:0ME215187--6.72-
PE 32:1; [M-H]-@6.20PE 32:1ME215188--6.2-
PE 33:0; [M-H]-@7.03PE 33:0ME215189--7.03-
PE 34:2; [M-H]-@6.38PE 34:2ME215190--6.38-
PE 34:3; [M-H]-@6.00PE 34:3ME215191--6-
PE 35:0; [M-H]-@7.59PE 35:0ME215192--7.59-
PE 35:2; [M-H]-@6.70PE 35:2ME215193--6.7-
PE 36:0; [M-H]-@7.87PE 36:0ME215194--7.87-
PE 36:1; [M-H]-@7.44PE 36:1ME215195--7.44-
PE 36:3; [M-H]-@6.54PE 36:3ME215196--6.54-
PE 36:4; [M-H]-@6.25PE 36:4ME215197--6.25-
PE 38:6; [M-H]-@6.12PE 38:6ME215198--6.12-
PE 40:3; [M-H]-@7.22PE 40:3ME215199--7.22-
PE 40:7; [M-H]-@6.37PE 40:7ME215200--6.37-
PG 33:0; [M-H]-@6.00PG 33:0ME215201--6-
PG 36:0; [M-H]-@6.81PG 36:0ME215202--6.81-
PG 36:2; [M-H]-@5.71PG 36:2ME215203--5.71-
PG 36:3; [M-H]-@5.15PG 36:3ME215204--5.15-
PG 38:2; [M-H]-@6.07PG 38:2ME215205--6.07-
PG 38:5; [M-H]-@5.07PG 38:5ME215206--5.07-
PI 34:1; [M-H]-@5.59PI 34:1ME215207--5.59-
PI 36:4; [M-H]-@5.12PI 36:4ME215208--5.12-
PI 38:4; [M-H]-@5.73PI 38:4ME215209--5.73-
PI 38:5; [M-H]-@5.28PI 38:5ME215210--5.28-
PI 39:4; [M-H]-@6.08PI 39:4ME215211--6.08-
plasmenyl-PE 32:0; [M-H]-@7.08PE P-32:0 or PE O-32:1ME215218--7.08-
plasmenyl-PE 34:2; [M-H]-@6.69PE P-34:2 or PE O-34:3ME215219--6.69-
plasmenyl-PE 36:2; [M-H]-@7.28PE P-36:2 or PE O-36:3ME215220--7.28-
plasmenyl-PE 36:3; [M-H]-@6.89PE P-36:3 or PE O-36:4ME215221--6.89-
plasmenyl-PE 38:1; [M-H]-@8.24PE P-38:1 or PE O-38:2ME215222--8.24-
plasmenyl-PE 38:4; [M-H]-@7.21PE P-38:4 or PE O-38:5ME215223--7.21-
plasmenyl-PE 38:5; [M-H]-@6.71PE P-38:5 or PE O-38:6ME215224--6.71-
plasmenyl-PE 38:6; [M-H]-@6.57PE P-38:6 or PE O-38:7ME215225--6.57-
plasmenyl-PE 40:4; [M-H]-@7.73PE P-40:4 or PE O-40:5ME215226--7.73-
plasmenyl-PE 40:5; [M-H]-@7.39PE P-40:5 or PE O-40:6ME215227--7.39-
PS 34:1; [M-H]-@5.75PS 34:1ME215212--5.75-
PS 34:2; [M-H]-@5.27PS 34:2ME215213--5.27-
PS 36:2; [M-H]-@5.95PS 36:2ME215214--5.95-
PS 38:4; [M-H]-@5.91PS 38:4ME215215--5.91-
PS 40:5; [M-H]-@6.02PS 40:5ME215216--6.02-


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(22:4); [M+NH4]+@10.86CE 22:4ME21522816061341-10.86-
CE(22:6); [M+NH4]+@10.48CE 22:6ME21522914274978-10.48-
DG 26:0; [M+NH4]+@6.07DG 26:0ME21523056936298-6.07-
DG 26:1; [M+NH4]+@5.53DG 26:1ME215231--5.53-
DG 28:0; [M+NH4]+@6.76DG 28:0ME215232--6.76-
DG 28:1; [M+NH4]+@6.27DG 28:1ME21523356936297-6.27-
DG 28:2; [M+NH4]+@5.70DG 28:2ME21523453477973-5.7-
DG 29:1; [M+NH4]+@6.56DG 29:1ME215235--6.56-
DG 30:0; [M+NH4]+@7.32DG 30:0ME215236--7.32-
DG 30:1; [M+NH4]+@6.86DG 30:1ME215237--6.86-
DG 30:2; [M+NH4]+@6.41DG 30:2ME215238--6.41-
DG 31:0; [M+NH4]+@7.52DG 31:0ME215239--7.52-
DG 32:0; [M+NH4]+@7.87DG 32:0ME215240--7.87-
DG 32:1; [M+NH4]+@7.45DG 32:1ME215241--7.45-
DG 32:2; [M+NH4]+@7.01DG 32:2ME215242--7.01-
DG 32:3; [M+NH4]+@6.56DG 32:3ME215243--6.56-
DG 33:0; [M+NH4]+@8.09DG 33:0ME215244--8.09-
DG 33:1; [M+NH4]+@7.67DG 33:1ME215245--7.67-
DG 33:2; [M+NH4]+@7.27DG 33:2ME215246--7.27-
DG 34:0; [M+NH4]+@8.34DG 34:0ME215247--8.34-
DG 34:2; [M+NH4]+@7.54DG 34:2ME215248--7.54-
DG 34:3; [M+NH4]+@7.13DG 34:3ME215249--7.13-
DG 35:1; [M+NH4]+@8.16DG 35:1ME215250--8.16-
DG 35:2; [M+NH4]+@7.80DG 35:2ME215251--7.8-
DG 36:0; [M+NH4]+@8.82DG 36:0ME215252--8.82-
DG 36:1; [M+NH4]+@8.43DG 36:1ME215253--8.43-
DG 36:2; [M+NH4]+@7.99DG 36:2ME215254--7.99-
DG 36:3; [M+NH4]+@7.67DG 36:3ME215255--7.67-
DG 36:4; [M+NH4]+@7.43DG 36:4ME215256--7.43-
DG 36:5; [M+NH4]+@6.93DG 36:5ME215257--6.93-
DG 37:2; [M+NH4]+@8.31DG 37:2ME215258--8.31-
DG 38:1; [M+NH4]+@8.84DG 38:1ME215259--8.84-
DG 38:2; [M+NH4]+@8.51DG 38:2ME215260--8.51-
DG 38:3; [M+NH4]+@8.17DG 38:3ME215261--8.17-
DG 38:4; [M+NH4]+@7.99DG 38:4ME215262--7.99-
DG 38:5; [M+NH4]+@7.61DG 38:5ME215263--7.61-
DG 38:6; [M+NH4]+@7.27DG 38:6ME215264--7.27-
DG 40:3; [M+NH4]+@8.60DG 40:3ME215265--8.6-
DG 40:5; [M+NH4]+@8.04DG 40:5ME215266--8.04-
lysoPC 16:0; [M+H]+@1.58LPC 16:0ME215408--1.58-
lysoPC 16:1; [M+H]+@1.21LPC 16:1ME215409--1.21-
lysoPC 18:0; [M+H]+@2.23LPC 18:0ME215410--2.23-
lysoPC 18:1; [M+H]+@1.73LPC 18:1ME215411--1.73-
lysoPC 18:2; [M+H]+@1.28LPC 18:2ME215412--1.28-
lysoPC 19:0; [M+H]+@2.84LPC 19:0ME21541324779472-2.84-
lysoPC 20:0; [M+H]+@3.25LPC 20:0ME21541424779473-3.25-
lysoPC 20:2; [M+H]+@1.94LPC 20:2ME21541552924053-1.94-
lysoPE 16:0; [M+H]+@1.64LPE 16:0ME215416--1.64-
lysoPE 18:1; [M+H]+@1.75LPE 18:1ME215417--1.75-
lysoPE 18:2; [M+H]+@1.40LPE 18:2ME215418--1.4-
MG 17:0; [M+Li]+@3.12MG 17:0ME215267107036-3.12-
PC 19:2; [M+H]+@1.40PC 19:2ME215268--1.4-
PC 28:0; [M+H]+@5.34PC 28:0ME215269--5.34-
PC 30:0; [M+Na]+@6.06PC 30:0ME215270--6.06-
PC 33:0; [M+H]+@6.99PC 33:0ME215271--6.99-
PC 34:1; [M+Na]+@6.85PC 34:1ME215272--6.85-
PC 35:1; [M+H]+@7.04PC 35:1ME215273--7.04-
PC 35:2; [M+H]+@6.66PC 35:2ME215274--6.66-
PC 35:3; [M+H]+@7.20PC 35:3ME215275--7.2-
PC 36:5; [M+H]+@5.79PC 36:5ME215276--5.79-
PC 37:1; [M+H]+@7.73PC 37:1ME215277--7.73-
PC 37:2; [M+H]+@7.33PC 37:2ME215278--7.33-
PC 37:7; [M+H]+@6.37PC 37:7ME215279--6.37-
PC 40:5; [M+H]+@7.04PC 40:5ME215280--7.04-
PC 40:7; [M+H]+@6.96PC 40:7ME215281--6.96-
PC 40:8; [M+H]+@5.63PC 40:8ME215282--5.63-
PC 40:9; [M+H]+@5.70PC 40:9ME215283--5.7-
PC 42:1; [M+H]+@9.13PC 42:1ME215284--9.13-
PE 19:2; [M+H]+@1.38PE 19:2ME215285--1.38-
PE 21:4; [M+H]+@1.34LPE 21:4ME215286--1.34-
PE 34:1; [M+H]+@6.84PE 34:1ME215287--6.84-
PE 34:2; [M+H]+@6.34PE 34:2ME215288--6.34-
PE 34:3; [M+H]+@6.02PE 34:3ME215289--6.02-
PE 36:2; [M+H]+@6.96PE 36:2ME215290--6.96-
PE 36:5; [M+H]+@5.89PE 36:5ME215291--5.89-
PE 38:4; [M+H]+@7.02PE 38:4ME215292--7.02-
PE 38:5; [M+H]+@6.48PE 38:5ME215293--6.48-
plasmenyl-PC 36:4; [M+Na]+@6.64PC P-36:4 or PC O-36:5ME215419--6.64-
plasmenyl-PC 38:4; [M+Na]+@6.83PC P-38:4 or PC O-38:5ME215420--6.83-
plasmenyl-PE 32:1; [M+H]+@6.60PE P-32:1 or PE O-32:2ME215421--6.6-
plasmenyl-PE 34:1; [M+H]+@7.07PE P-34:1 or PE O-34:2ME215422--7.07-
plasmenyl-PE 36:1; [M+H]+@7.75PE P-36:1 or PE O-36:2ME215423--7.75-
plasmenyl-PE 36:4; [M+H]+@6.65PE P-36:4 or PE O-36:5ME215424--6.65-
plasmenyl-PE 36:5; [M+H]+@6.34PE P-36:5 or PE O-36:6ME215425--6.34-
plasmenyl-PE 38:2; [M+H]+@7.89PE P-38:2 or PE O-38:3ME215426--7.89-
plasmenyl-PE 38:3; [M+H]+@7.55PE P-38:3 or PE O-38:4ME215427--7.55-
plasmenyl-PE 40:6; [M+H]+@7.17PE P-40:6 or PE O-40:7ME215428--7.17-
PS 36:1; [M+H]+@6.35PS 36:1ME215294--6.35-
PS 36:3; [M+H]+@5.39PS 36:3ME215295--5.39-
PS 38:6; [M+H]+@5.15PS 38:6ME215296--5.15-
SM 30:1; [M]+@4.34SM 30:1;O2ME215297--4.34-
SM 31:1; [M]+@4.73SM 31:1;O2ME215298--4.73-
SM 32:1; [M]+@4.97SM 32:1;O2ME21529911433862-4.97-
SM 33:1; [M+Na]+@5.51SM 33:1;O2ME21530052931139-5.51-
SM 33:2; [M]+@4.97SM 33:2;O2ME215301--4.97-
SM 34:0; [M+Na]+@6.13SM 34:0;O2ME2153029939965-6.13-
SM 34:1; [M+Na]+@5.85SM 34:1;O2ME215303--5.85-
SM 34:2; [M+Na]+@5.32SM 34:2;O2ME215304--5.32-
SM 36:1; [M+Na]+@6.60SM 36:1;O2ME21530544260139-6.6-
SM 36:2; [M]+@6.02SM 36:2;O2ME215306--6.02-
SM 37:1; [M]+@6.87SM 37:1;O2ME215307--6.87-
SM 38:1; [M]+@7.26SM 38:1;O2ME215308--7.26-
SM 38:2; [M]+@6.71SM 38:2;O2ME215309--6.71-
SM 39:1; [M]+@7.43SM 39:1;O2ME215310--7.43-
SM 39:2; [M]+@7.07SM 39:2;O2ME215311--7.07-
SM 40:1; [M+Na]+@7.73SM 40:1;O2ME215312--7.73-
SM 40:2; [M]+@7.31SM 40:2;O2ME215313--7.31-
SM 41:1; [M+Na]+@8.14SM 41:1;O2ME215314--8.14-
SM 41:2; [M]+@7.72SM 41:2;O2ME215315--7.72-
SM 42:1; [M+Na]+@8.38SM 42:1;O2ME21531644260133-8.38-
SM 42:2; [M]+@8.05SM 42:2;O2ME215317--8.05-
SM 44:1; [M]+@8.99SM 44:1;O2ME215318--8.99-
SM 44:2; [M]+@8.40SM 44:2;O2ME215319--8.4-
TG 40:0; [M+Na]+@9.48TG 40:0ME215320--9.48-
TG 40:1; [M+NH4]+@9.11TG 40:1ME215321--9.11-
TG 42:0; [M+NH4]+@9.76TG 42:0ME215322--9.76-
TG 42:1; [M+NH4]+@9.48TG 42:1ME215323--9.48-
TG 42:2; [M+NH4]+@9.22TG 42:2ME215324--9.22-
TG 44:1; [M+NH4]+@9.78TG 44:1ME215325--9.78-
TG 44:2; [M+NH4]+@9.52TG 44:2ME215326--9.52-
TG 46:1; [M+NH4]+@10.06TG 46:1ME215327--10.06-
TG 46:2; [M+NH4]+@9.82TG 46:2ME215328--9.82-
TG 46:3; [M+NH4]+@9.58TG 46:3ME215329--9.58-
TG 48:0; [M+NH4]+@10.55TG 48:0ME215330--10.55-
TG 48:1; [M+NH4]+@10.33TG 48:1ME215331--10.33-
TG 48:2; [M+NH4]+@10.11TG 48:2ME215332--10.11-
TG 48:3; [M+NH4]+@9.87TG 48:3ME215333--9.87-
TG 49:0; [M+NH4]+@10.66TG 49:0ME215334--10.66-
TG 49:1; [M+NH4]+@10.47TG 49:1ME215335--10.47-
TG 49:2; [M+NH4]+@10.26TG 49:2ME215336--10.26-
TG 49:3; [M+NH4]+@10.03TG 49:3ME215337--10.03-
TG 50:0; [M+Na]+@10.41TG 50:0ME215338--10.41-
TG 50:1; [M+Na]+@9.21TG 50:1ME215340--9.21-
TG 50:1; [M+NH4]+@10.55TG 50:1ME215339--10.55-
TG 50:2; [M+Na]+@10.39TG 50:2ME215342--10.39-
TG 50:2; [M+NH4]+@10.36TG 50:2ME215341--10.36-
TG 50:3; [M+NH4]+@10.13TG 50:3ME215343--10.13-
TG 50:4; [M+NH4]+@9.93TG 50:4ME215344--9.93-
TG 50:5; [M+NH4]+@9.75TG 50:5ME215345--9.75-
TG 51:1; [M+NH4]+@10.71TG 51:1ME215346--10.71-
TG 51:2; [M+NH4]+@10.51TG 51:2ME215347--10.51-
TG 51:3; [M+NH4]+@10.29TG 51:3ME215348--10.29-
TG 51:4; [M+NH4]+@10.13TG 51:4ME215349--10.13-
TG 51:5; [M+NH4]+@9.84TG 51:5ME215350--9.84-
TG 52:1; [M+NH4]+@10.82TG 52:1ME215351--10.82-
TG 52:2; [M+NH4]+@10.57TG 52:2ME215352--10.57-
TG 52:3; [M+NH4]+@10.38TG 52:3ME215353--10.38-
TG 52:4; [M+NH4]+@10.19TG 52:4ME215354--10.19-
TG 52:5; [M+NH4]+@9.98TG 52:5ME215355--9.98-
TG 52:6; [M+NH4]+@9.82TG 52:6ME215356--9.82-
TG 52:7; [M+NH4]+@9.64TG 52:7ME215357--9.64-
TG 53:1; [M+NH4]+@10.95TG 53:1ME215358--10.95-
TG 53:2; [M+NH4]+@10.72TG 53:2ME215359--10.72-
TG 53:3; [M+NH4]+@10.52TG 53:3ME215360--10.52-
TG 53:4; [M+NH4]+@10.33TG 53:4ME215361--10.33-
TG 53:5; [M+NH4]+@10.14TG 53:5ME215362--10.14-
TG 53:7; [M+NH4]+@9.74TG 53:7ME215363--9.74-
TG 54:0; [M+NH4]+@11.28TG 54:0ME215364--11.28-
TG 54:1; [M+NH4]+@11.03TG 54:1ME215365--11.03-
TG 54:2; [M+NH4]+@10.84TG 54:2ME215366--10.84-
TG 54:3; [M+NH4]+@10.66TG 54:3ME215367--10.66-
TG 54:4; [M+NH4]+@10.47TG 54:4ME215368--10.47-
TG 54:5; [M+NH4]+@10.23TG 54:5ME215369--10.23-
TG 54:6; [M+NH4]+@10.03TG 54:6ME215370--10.03-
TG 54:7; [M+NH4]+@9.85TG 54:7ME215371--9.85-
TG 54:8; [M+NH4]+@9.71TG 54:8ME215372--9.71-
TG 55:1; [M+NH4]+@11.15TG 55:1ME215373--11.15-
TG 55:2; [M+NH4]+@10.95TG 55:2ME215374--10.95-
TG 55:3; [M+NH4]+@10.77TG 55:3ME215375--10.77-
TG 55:4; [M+NH4]+@10.57TG 55:4ME215376--10.57-
TG 55:6; [M+NH4]+@10.29TG 55:6ME215377--10.29-
TG 55:7; [M+NH4]+@10.11TG 55:7ME215378--10.11-
TG 56:0; [M+NH4]+@11.54TG 56:0ME215379--11.54-
TG 56:1; [M+NH4]+@11.28TG 56:1ME215380--11.28-
TG 56:2; [M+NH4]+@11.06TG 56:2ME215381--11.06-
TG 56:3; [M+NH4]+@10.88TG 56:3ME215382--10.88-
TG 56:4; [M+NH4]+@10.69TG 56:4ME215383--10.69-
TG 56:5; [M+NH4]+@10.53TG 56:5ME215384--10.53-
TG 56:6; [M+NH4]+@10.39TG 56:6ME215385--10.39-
TG 56:7; [M+NH4]+@10.18TG 56:7ME215386--10.18-
TG 56:8; [M+NH4]+@9.99TG 56:8ME215387--9.99-
TG 56:9; [M+NH4]+@9.83TG 56:9ME215388--9.83-
TG 57:1; [M+NH4]+@11.44TG 57:1ME215389--11.44-
TG 57:3; [M+NH4]+@10.99TG 57:3ME215390--10.99-
TG 57:6; [M+NH4]+@10.50TG 57:6ME215391--10.5-
TG 58:0; [M+NH4]+@11.79TG 58:0ME215392--11.79-
TG 58:10; [M+NH4]+@9.94TG 58:10ME215394--9.94-
TG 58:1; [M+NH4]+@11.55TG 58:1ME215393--11.55-
TG 58:2; [M+NH4]+@11.32TG 58:2ME215395--11.32-
TG 58:3; [M+NH4]+@11.12TG 58:3ME215396--11.12-
TG 58:4; [M+NH4]+@10.91TG 58:4ME215397--10.91-
TG 58:5; [M+NH4]+@10.78TG 58:5ME215398--10.78-
TG 58:6; [M+NH4]+@10.57TG 58:6ME215399--10.57-
TG 58:7; [M+NH4]+@10.41TG 58:7ME215400--10.41-
TG 58:8; [M+NH4]+@10.22TG 58:8ME215401--10.22-
TG 58:9; [M+NH4]+@10.17TG 58:9ME215402--10.17-
TG 60:10; [M+NH4]+@10.20TG 60:10ME215403--10.2-
TG 60:11; [M+NH4]+@9.99TG 60:11ME215404--9.99-
TG 60:5; [M+NH4]+@11.01TG 60:5ME215405--11.01-
TG 60:6; [M+NH4]+@10.79TG 60:6ME215406--10.79-
TG 62:1; [M+NH4]+@12.12TG 62:1ME215407--12.12-


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