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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 66:3; [M-2H](2-)@5.74CL 66:3ME208585--5.74-
CL 70:5; [M-2H](2-)@9.23CL 70:5ME208586--9.23-
CL 70:7; [M-2H](2-)@5.76CL 70:7ME208587--5.76-
CL 72:1; [M-2H](2-)@7.71CL 72:1ME208588--7.71-
CL 72:5; [M-2H](2-)@9.47CL 72:5ME208589--9.47-
CL 72:6; [M-2H](2-)@9.28CL 72:6ME208590--9.28-
CL 72:7; [M-2H](2-)@9.12CL 72:7ME208591--9.12-
CL 72:8; [M-2H](2-)@8.92CL 72:8ME208592--8.92-
CL 74:10; [M-2H](2-)@8.94CL 74:10ME208594--8.94-
CL 74:11; [M-2H](2-)@8.76CL 74:11ME208595--8.76-
CL 74:1; [M-2H](2-)@6.78CL 74:1ME208593--6.78-
CL 74:3; [M-2H](2-)@6.36CL 74:3ME208596--6.36-
CL 74:7; [M-2H](2-)@9.36CL 74:7ME208597--9.36-
CL 74:8; [M-2H](2-)@9.17CL 74:8ME208598--9.17-
CL 76:10; [M-2H](2-)@9.21CL 76:10ME208599--9.21-
CL 76:11; [M-2H](2-)@9.01CL 76:11ME208600--9.01-
CL 76:12; [M-2H](2-)@8.84CL 76:12ME208601--8.84-
CL 76:9; [M-2H](2-)@9.29CL 76:9ME208602--9.29-
CL 78:12; [M-2H](2-)@9.07CL 78:12ME208603--9.07-
CL 78:13; [M-2H](2-)@8.93CL 78:13ME208604--8.93-
CL 80:15; [M-2H](2-)@8.93CL 80:15ME208605--8.93-
FFA(16:0)Palmitic acidME208606----
FFA(18:0)Stearic acidME2086075281---
FFA(18:1)Octadecenoic acidME208608----
FFA(18:2)Octadecadienoic acidME208609----
FFA(20:0)Arachidic acidME20861010467---
FFA(20:1)Heneicosenoic acidME208611----
FFA(20:2)Eicosadienoic acidME208612----
FFA(20:4) Arachidonic acidArachidonic acidME208613----
FFA(22:0)Behenic acidME2086148215---
FFA(22:1)Docosenoic acidME208615----
FFA(22:2)Docosadienoic acidME208616----
FFA(22:3)Docosatrienoic acidME208617----
FFA(24:1)Tetracosenoic acidME208618----
FFA(24:2)Tetracosadienoic acidME208619----
FFA(24:3)Tetracosatrienoic acidME20862052921854---
lysoPE 16:0; [M-H]-@1.68LPE 16:0ME208747--1.68-
lysoPE 18:1; [M-H]-@1.83LPE 18:1ME208748--1.83-
lysoPE 18:2; [M-H]-@1.34LPE 18:2ME208749--1.34-
lysoPE 20:4; [M-H]-@1.32LPE 20:4ME208750--1.32-
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.46Cer 18:1;O2/24:1ME2086215283568-8.46-
N-(docosanoyl)-sphing-4-enine; [M-H]-@8.45Cer 18:1;O2/22:0ME2086225283567-8.45-
N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.97Cer 18:1;O2/20:0ME2086235283566-7.97-
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.83Cer 18:1;O2/16:0ME2086245283564-6.83-
N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.38Cer 18:1;O2/18:0ME2086255283565-7.38-
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.90Cer 18:1;O2/24:0ME2086265283571-8.9-
PC 28:0; [M-Ac-H]-@5.33PC 28:0ME208627--5.33-
PC 29:0; [M-Ac-H]-@5.69PC 29:0ME208628--5.69-
PC 30:0; [M-Ac-H]-@6.02PC 30:0ME208629--6.02-
PC 30:1; [M-Ac-H]-@5.49PC 30:1ME208630--5.49-
PC 30:2; [M-Ac-H]-@5.03PC 30:2ME208631--5.03-
PC 31:0; [M-Ac-H]-@6.30PC 31:0ME208632--6.3-
PC 31:1; [M-Ac-H]-@5.84PC 31:1ME208633--5.84-
PC 32:1; [M-Ac-H]-@6.12PC 32:1ME208634--6.12-
PC 32:2; [M-Ac-H]-@5.67PC 32:2ME208635--5.67-
PC 33:0; [M-Ac-H]-@6.89PC 33:0ME208636--6.89-
PC 33:1; [M-Ac-H]-@6.50PC 33:1ME208637--6.5-
PC 33:2; [M-Ac-H]-@6.04PC 33:2ME208638--6.04-
PC 34:3; [M-Ac-H]-@5.82PC 34:3ME208639--5.82-
PC 34:4; [M-Ac-H]-@5.55PC 34:4ME208640--5.55-
PC 35:1; [M-Ac-H]-@7.13PC 35:1ME208641--7.13-
PC 35:2; [M-Ac-H]-@6.64PC 35:2ME208642--6.64-
PC 35:3; [M-Ac-H]-@6.18PC 35:3ME208643--6.18-
PC 36:0; [M-Ac-H]-@7.98PC 36:0ME208644--7.98-
PC 36:1; [M-Ac-H]-@7.40PC 36:1ME208645--7.4-
PC 36:4; [M-Ac-H]-@6.15PC 36:4ME208646--6.15-
PC 36:5; [M-Ac-H]-@5.76PC 36:5ME208647--5.76-
PC 37:1; [M-Ac-H]-@7.76PC 37:1ME208648--7.76-
PC 37:2; [M-Ac-H]-@7.29PC 37:2ME208649--7.29-
PC 37:3; [M-Ac-H]-@6.82PC 37:3ME208650--6.82-
PC 37:4; [M-Ac-H]-@6.62PC 37:4ME208651--6.62-
PC 37:7; [M-Ac-H]-@5.33PC 37:7ME208652--5.33-
PC 38:1; [M-Ac-H]-@8.07PC 38:1ME208653--8.07-
PC 38:2; [M-Ac-H]-@7.57PC 38:2ME208654--7.57-
PC 38:3; [M-Ac-H]-@7.23PC 38:3ME208655--7.23-
PC 39:5; [M-Ac-H]-@6.70PC 39:5ME208656--6.7-
PC 39:6; [M-Ac-H]-@6.47PC 39:6ME208657--6.47-
PC 39:7; [M-Ac-H]-@6.03PC 39:7ME208658--6.03-
PC 39:8; [M-Ac-H]-@5.48PC 39:8ME208659--5.48-
PC 40:4; [M-Ac-H]-@7.38PC 40:4ME208660--7.38-
PC 40:7; [M-Ac-H]-@6.18PC 40:7ME208661--6.18-
PC 41:6; [M-Ac-H]-@7.20PC 41:6ME208662--7.2-
PC 42:1; [M-Ac-H]-@9.21PC 42:1ME208663--9.21-
PC 44:12; [M-Ac-H]-@5.66PC 44:12ME20866424779134-5.66-
PE 30:0; [M-H]-@6.10PE 30:0ME208665--6.1-
PE 30:1; [M-H]-@5.57PE 30:1ME208666--5.57-
PE 31:1; [M-H]-@5.99PE 31:1ME208667--5.99-
PE 33:0; [M-H]-@7.07PE 33:0ME208668--7.07-
PE 33:2; [M-H]-@6.07PE 33:2ME208669--6.07-
PE 34:2; [M-H]-@6.43PE 34:2ME208670--6.43-
PE 34:3; [M-H]-@5.96PE 34:3ME208671--5.96-
PE 34:4; [M-H]-@5.67PE 34:4ME208672--5.67-
PE 35:2; [M-H]-@6.75PE 35:2ME208673--6.75-
PE 35:3; [M-H]-@6.28PE 35:3ME208674--6.28-
PE 35:4; [M-H]-@6.06PE 35:4ME208675--6.06-
PE 36:0; [M-H]-@7.88PE 36:0ME208676--7.88-
PE 36:1; [M-H]-@7.46PE 36:1ME208677--7.46-
PE 36:6; [M-H]-@5.57PE 36:6ME208678--5.57-
PE 37:1; [M-H]-@7.69PE 37:1ME208679--7.69-
PE 37:2; [M-H]-@7.31PE 37:2ME208680--7.31-
PE 37:5; [M-H]-@6.21PE 37:5ME208681--6.21-
PE 37:6; [M-H]-@5.98PE 37:6ME208682--5.98-
PE 38:1; [M-H]-@7.95PE 38:1ME208683--7.95-
PE 38:3; [M-H]-@7.26PE 38:3ME208684--7.26-
PE 39:4; [M-H]-@7.25PE 39:4ME208685--7.25-
PE 39:5; [M-H]-@6.79PE 39:5ME208686--6.79-
PE 39:7; [M-H]-@6.07PE 39:7ME208687--6.07-
PE 39:8; [M-H]-@5.64PE 39:8ME208688--5.64-
PE 40:10; [M-H]-@5.12PE 40:10ME208690--5.12-
PE 40:1; [M-H]-@8.47PE 40:1ME208689--8.47-
PE 40:2; [M-H]-@8.00PE 40:2ME208691--8-
PE 40:4; [M-H]-@7.44PE 40:4ME208692--7.44-
PE 40:6; [M-H]-@6.91PE 40:6ME208693--6.91-
PE 41:6; [M-H]-@7.09PE 41:6ME208694--7.09-
PE 42:10; [M-H]-@5.73PE 42:10ME208696--5.73-
PE 42:11; [M-H]-@5.41PE 42:11ME208697--5.41-
PE 42:1; [M-H]-@8.94PE 42:1ME208695--8.94-
PE 42:2; [M-H]-@8.48PE 42:2ME208698--8.48-
PE 42:3; [M-H]-@8.12PE 42:3ME208699--8.12-
PE 42:9; [M-H]-@6.07PE 42:9ME208700--6.07-
PE 44:10; [M-H]-@6.36PE 44:10ME208701--6.36-
PE 44:12; [M-H]-@5.71PE 44:12ME2087029546797-5.71-
PE 44:7; [M-H]-@7.51PE 44:7ME208703--7.51-
PG 32:0; [M-H]-@5.75PG 32:0ME208704--5.75-
PG 32:1; [M-H]-@5.25PG 32:1ME208705--5.25-
PG 33:0; [M-H]-@6.05PG 33:0ME208706--6.05-
PG 33:1; [M-H]-@5.56PG 33:1ME208707--5.56-
PG 34:1; [M-H]-@5.78PG 34:1ME208708--5.78-
PG 34:2; [M-H]-@5.36PG 34:2ME208709--5.36-
PG 34:3; [M-H]-@4.97PG 34:3ME208710--4.97-
PG 35:1; [M-H]-@6.15PG 35:1ME208711--6.15-
PG 36:0; [M-H]-@6.89PG 36:0ME208712--6.89-
PG 36:2; [M-H]-@5.84PG 36:2ME208713--5.84-
PG 36:3; [M-H]-@5.39PG 36:3ME208714--5.39-
PG 36:4; [M-H]-@4.89PG 36:4ME208715--4.89-
PG 36:5; [M-H]-@4.31PG 36:5ME208716--4.31-
PG 38:3; [M-H]-@5.90PG 38:3ME208717--5.9-
PG 38:4; [M-H]-@6.07PG 38:4ME208718--6.07-
PG 38:5; [M-H]-@5.52PG 38:5ME208719--5.52-
PG 38:6; [M-H]-@5.34PG 38:6ME208720--5.34-
PG 38:7; [M-H]-@4.33PG 38:7ME208721--4.33-
PG 40:5; [M-H]-@6.03PG 40:5ME208722--6.03-
PG 40:6; [M-H]-@5.98PG 40:6ME208723--5.98-
PG 40:7; [M-H]-@5.02PG 40:7ME208724--5.02-
PG 40:8; [M-H]-@4.67PG 40:8ME208725--4.67-
PG 42:10; [M-H]-@4.56PG 42:10ME208726--4.56-
PG 42:9; [M-H]-@4.79PG 42:9ME208727--4.79-
PG 44:11; [M-H]-@4.77PG 44:11ME208728--4.77-
PG 44:12; [M-H]-@4.48PG 44:12ME20872952927240-4.48-
PI 36:2; [M-H]-@5.91PI 36:2ME208730--5.91-
PI 36:4; [M-H]-@5.25PI 36:4ME208731--5.25-
PI 38:3; [M-H]-@6.10PI 38:3ME208732--6.1-
PI 38:4; [M-H]-@5.87PI 38:4ME208733--5.87-
PI 38:5; [M-H]-@5.33PI 38:5ME208734--5.33-
PI 40:5; [M-H]-@5.98PI 40:5ME208735--5.98-
PI 40:6; [M-H]-@5.78PI 40:6ME208736--5.78-
PI 40:7; [M-H]-@5.26PI 40:7ME208737--5.26-
plasmenyl-PE 30:0; [M-H]-@6.47PE P-30:0ME208751--6.47-
plasmenyl-PE 32:0; [M-H]-@7.11PE P-32:0ME208752--7.11-
plasmenyl-PE 32:1; [M-H]-@6.58PE P-32:1ME208753--6.58-
plasmenyl-PE 36:1; [M-H]-@7.74PE P-36:1ME208754--7.74-
plasmenyl-PE 36:5; [M-H]-@6.29PE P-36:5ME208755--6.29-
plasmenyl-PE 38:1; [M-H]-@8.24PE P-38:1ME208756--8.24-
plasmenyl-PE 38:2; [M-H]-@7.85PE P-38:2ME208757--7.85-
plasmenyl-PE 38:3; [M-H]-@7.56PE P-38:3ME208758--7.56-
plasmenyl-PE 38:4; [M-H]-@7.22PE P-38:4ME208759--7.22-
plasmenyl-PE 40:4; [M-H]-@7.74PE P-40:4ME208760--7.74-
plasmenyl-PE 42:4; [M-H]-@8.12PE P-42:4ME208761--8.12-
plasmenyl-PE 42:6; [M-H]-@7.76PE P-42:6ME208762--7.76-
PS 38:4; [M-H]-@6.05PS 38:4ME208738--6.05-
PS 38:6; [M-H]-@5.22PS 38:6ME208739--5.22-
PS 40:5; [M-H]-@6.04PS 40:5ME208740--6.04-
PS 40:6; [M-H]-@5.79PS 40:6ME208741--5.79-
PS 40:7; [M-H]-@5.34PS 40:7ME208742--5.34-
PS 40:8; [M-H]-@4.90PS 40:8ME208743--4.9-
PS 40:9; [M-H]-@4.43PS 40:9ME208744--4.43-
PS 42:10; [M-H]-@4.81PS 42:10ME208745--4.81-
PS 42:7; [M-H]-@6.02PS 42:7ME208746--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(18:1); [M+NH4]+@10.84CE 18:1ME2087635283632-10.84-
CE(18:2); [M+NH4]+@10.69CE 18:2ME2087645287939-10.69-
CE(20:4); [M+NH4]+@10.53CE 20:4ME2087656479222-10.53-
CE(22:6); [M+NH4]+@10.44CE 22:6ME20876614274978-10.44-
DG 30:0; [M+NH4]+@7.32DG 30:0ME208767--7.32-
DG 31:0; [M+NH4]+@7.60DG 31:0ME208768--7.6-
DG 32:0; [M+NH4]+@7.85DG 32:0ME208769--7.85-
DG 32:1; [M+NH4]+@7.42DG 32:1ME208770--7.42-
DG 32:2; [M+NH4]+@7.02DG 32:2ME208771--7.02-
DG 33:0; [M+NH4]+@8.16DG 33:0ME208772--8.16-
DG 33:1; [M+NH4]+@7.70DG 33:1ME208773--7.7-
DG 33:2; [M+NH4]+@7.31DG 33:2ME208774--7.31-
DG 34:0; [M+NH4]+@8.34DG 34:0ME208775--8.34-
DG 34:2; [M+NH4]+@7.57DG 34:2ME208776--7.57-
DG 34:3; [M+NH4]+@7.13DG 34:3ME208777--7.13-
DG 34:4; [M+NH4]+@6.77DG 34:4ME208778--6.77-
DG 35:0; [M+NH4]+@8.57DG 35:0ME208779--8.57-
DG 35:1; [M+NH4]+@8.18DG 35:1ME208780--8.18-
DG 35:2; [M+NH4]+@7.84DG 35:2ME208781--7.84-
DG 35:3; [M+NH4]+@7.41DG 35:3ME208782--7.41-
DG 36:0; [M+NH4]+@8.85DG 36:0ME208783--8.85-
DG 36:1; [M+NH4]+@8.43DG 36:1ME208784--8.43-
DG 36:2; [M+NH4]+@8.03DG 36:2ME208785--8.03-
DG 36:3; [M+NH4]+@7.62DG 36:3ME208786--7.62-
DG 36:4; [M+NH4]+@7.36DG 36:4ME208787--7.36-
DG 36:5; [M+NH4]+@6.94DG 36:5ME208788--6.94-
DG 36:6; [M+NH4]+@6.85DG 36:6ME208789--6.85-
DG 37:1; [M+NH4]+@8.67DG 37:1ME208790--8.67-
DG 37:2; [M+NH4]+@8.30DG 37:2ME208791--8.3-
DG 38:1; [M+NH4]+@8.87DG 38:1ME208792--8.87-
DG 38:2; [M+NH4]+@8.51DG 38:2ME208793--8.51-
DG 38:3; [M+NH4]+@8.14DG 38:3ME208794--8.14-
DG 38:4; [M+NH4]+@7.93DG 38:4ME208795--7.93-
DG 38:5; [M+NH4]+@7.56DG 38:5ME208796--7.56-
DG 38:6; [M+NH4]+@7.29DG 38:6ME208797--7.29-
DG 38:7; [M+NH4]+@6.93DG 38:7ME208798--6.93-
DG 40:4; [M+NH4]+@8.36DG 40:4ME208799--8.36-
DG 40:5; [M+NH4]+@8.09DG 40:5ME208800--8.09-
DG 40:6; [M+NH4]+@7.81DG 40:6ME208801--7.81-
DG 40:7; [M+NH4]+@7.40DG 40:7ME208802--7.4-
DG 40:8; [M+NH4]+@7.10DG 40:8ME208803--7.1-
DG 42:6; [M+NH4]+@8.15DG 42:6ME208804--8.15-
DG 42:7; [M+NH4]+@7.90DG 42:7ME208805--7.9-
DG 42:9; [M+NH4]+@7.30DG 42:9ME208806--7.3-
lysoPC 14:0; [M+H]+@1.05LPC 14:0ME208997--1.05-
lysoPC 15:0; [M+H]+@1.34LPC 15:0ME20899824779458-1.34-
lysoPC 16:0; [M+H]+@1.63LPC 16:0ME208999--1.63-
lysoPC 16:1; [M+H]+@1.24LPC 16:1ME209000--1.24-
lysoPC 17:1; [M+H]+@1.47LPC 17:1ME209001--1.47-
lysoPC 18:0; [M+H]+@2.41LPC 18:0ME209002--2.41-
lysoPC 18:1; [M+H]+@1.86LPC 18:1ME209003--1.86-
lysoPC 18:2; [M+H]+@1.43LPC 18:2ME209004--1.43-
lysoPC 18:3; [M+H]+@1.10LPC 18:3ME209005--1.1-
lysoPC 19:0; [M+H]+@2.86LPC 19:0ME20900624779472-2.86-
lysoPC 20:0; [M+H]+@3.40LPC 20:0ME20900724779473-3.4-
lysoPC 20:1; [M+H]+@2.55LPC 20:1ME209008--2.55-
lysoPC 20:2; [M+H]+@1.92LPC 20:2ME20900952924053-1.92-
lysoPC 20:3; [M+H]+@1.49LPC 20:3ME209010--1.49-
lysoPC 20:4; [M+H]+@1.32LPC 20:4ME209011--1.32-
lysoPC 20:5; [M+H]+@1.00LPC 20:5ME20901211757087-1-
lysoPC 22:0; [M+H]+@4.33LPC 22:0ME20901324779479-4.33-
lysoPC 22:1; [M+H]+@3.46LPC 22:1ME209014--3.46-
lysoPC 22:4; [M+H]+@1.75LPC 22:4ME20901552924039-1.75-
lysoPC 22:5; [M+H]+@1.47LPC 22:5ME209016--1.47-
lysoPC 22:6; [M+H]+@1.32LPC 22:6ME20901710415542-1.32-
lysoPC 24:0; [M+H]+@5.24LPC 24:0ME20901824779481-5.24-
lysoPC 24:1; [M+H]+@4.37LPC 24:1ME20901953480477-4.37-
lysoPE 16:0; [M+H]+@1.68LPE 16:0ME209020--1.68-
lysoPE 18:0; [M+H]+@2.48LPE 18:0ME209021--2.48-
lysoPE 22:4; [M+H]+@1.89LPE 22:4ME209022--1.89-
lysoPE 22:5; [M+H]+@1.50LPE 22:5ME209023--1.5-
lysoPE 22:6; [M+H]+@1.24LPE 22:6ME209024--1.24-
MG 17:0; [M+Li]+@3.16MG 17:0ME208807107036-3.16-
PC 19:0; [M+Na]+@1.20PC 19:0ME208808--1.2-
PC 29:1; [M+H]+@5.38PC 29:1ME208809--5.38-
PC 31:2; [M+H]+@5.31PC 31:2ME208810--5.31-
PC 32:0; [M+H]+@6.62PC 32:0ME208811--6.62-
PC 32:3; [M+H]+@6.05PC 32:3ME208812--6.05-
PC 32:4; [M+H]+@5.46PC 32:4ME208813--5.46-
PC 33:3; [M+H]+@5.52PC 33:3ME208814--5.52-
PC 34:1; [M+H]+@6.69PC 34:1ME208815--6.69-
PC 34:2; [M+H]+@6.27PC 34:2ME208816--6.27-
PC 34:5; [M+H]+@5.06PC 34:5ME208817--5.06-
PC 34:6; [M+H]+@5.24PC 34:6ME208818--5.24-
PC 35:4; [M+H]+@5.73PC 35:4ME208819--5.73-
PC 35:5; [M+H]+@5.53PC 35:5ME208820--5.53-
PC 36:1; [M+H]+@7.33PC 36:1ME208821--7.33-
PC 36:2; [M+H]+@6.90PC 36:2ME208822--6.9-
PC 36:3; [M+H]+@6.43PC 36:3ME208823--6.43-
PC 36:6; [M+H]+@5.55PC 36:6ME208824--5.55-
PC 36:7; [M+H]+@5.13PC 36:7ME208825--5.13-
PC 37:1; [M+H]+@7.66PC 37:1ME208826--7.66-
PC 37:6; [M+H]+@5.64PC 37:6ME208827--5.64-
PC 38:4; [M+H]+@6.95PC 38:4ME208828--6.95-
PC 38:5; [M+H]+@6.41PC 38:5ME208829--6.41-
PC 38:6; [M+H]+@6.16PC 38:6ME208830--6.16-
PC 38:7; [M+H]+@5.62PC 38:7ME208831--5.62-
PC 38:8; [M+Na]+@5.11PC 38:8ME208832--5.11-
PC 38:9; [M+H]+@5.07PC 38:9ME208833--5.07-
PC 39:4; [M+H]+@7.24PC 39:4ME208834--7.24-
PC 39:8; [M+H]+@5.50PC 39:8ME208835--5.5-
PC 40:0; [M+H]+@9.10PC 40:0ME208836--9.1-
PC 40:10; [M+H]+@5.04PC 40:10ME208838--5.04-
PC 40:1; [M+H]+@8.49PC 40:1ME208837--8.49-
PC 40:2; [M+H]+@8.10PC 40:2ME208839--8.1-
PC 40:5; [M+H]+@6.98PC 40:5ME208840--6.98-
PC 40:6; [M+H]+@6.83PC 40:6ME208841--6.83-
PC 40:8; [M+H]+@5.80PC 40:8ME208842--5.8-
PC 40:9; [M+H]+@5.24PC 40:9ME208843--5.24-
PC 41:1; [M+H]+@8.88PC 41:1ME208844--8.88-
PC 41:5; [M+H]+@7.36PC 41:5ME208845--7.36-
PC 42:10; [M+H]+@5.78PC 42:10ME208846--5.78-
PC 42:11; [M+H]+@5.52PC 42:11ME208847--5.52-
PC 42:2; [M+H]+@8.77PC 42:2ME208848--8.77-
PC 42:4; [M+H]+@8.01PC 42:4ME208849--8.01-
PC 42:5; [M+H]+@7.61PC 42:5ME208850--7.61-
PC 42:6; [M+H]+@7.38PC 42:6ME208851--7.38-
PC 42:7; [M+H]+@6.71PC 42:7ME208852--6.71-
PC 42:8; [M+H]+@6.49PC 42:8ME208853--6.49-
PC 42:9; [M+H]+@6.01PC 42:9ME208854--6.01-
PC 44:11; [M+H]+@5.87PC 44:11ME208855--5.87-
PC 44:7; [M+H]+@7.47PC 44:7ME208856--7.47-
PE 32:0; [M+H]+@6.72PE 32:0ME208857--6.72-
PE 32:1; [M+H]+@6.24PE 32:1ME208858--6.24-
PE 32:2; [M+H]+@5.75PE 32:2ME208859--5.75-
PE 33:1; [M+H]+@6.54PE 33:1ME208860--6.54-
PE 34:1; [M+H]+@6.85PE 34:1ME208861--6.85-
PE 35:1; [M+H]+@7.14PE 35:1ME208862--7.14-
PE 36:2; [M+H]+@7.05PE 36:2ME208863--7.05-
PE 36:3; [M+H]+@6.52PE 36:3ME208864--6.52-
PE 36:4; [M+H]+@6.28PE 36:4ME208865--6.28-
PE 36:5; [M+H]+@5.89PE 36:5ME208866--5.89-
PE 37:4; [M+H]+@6.70PE 37:4ME208867--6.7-
PE 38:2; [M+H]+@7.53PE 38:2ME208868--7.53-
PE 38:3; [M+H]+@7.24PE 38:3ME208869--7.24-
PE 38:4; [M+H]+@7.02PE 38:4ME208870--7.02-
PE 38:5; [M+H]+@6.54PE 38:5ME208871--6.54-
PE 38:6; [M+H]+@6.26PE 38:6ME208872--6.26-
PE 38:7; [M+H]+@5.66PE 38:7ME208873--5.66-
PE 39:6; [M+H]+@6.56PE 39:6ME208874--6.56-
PE 40:5; [M+H]+@7.25PE 40:5ME208875--7.25-
PE 40:7; [M+H]+@6.41PE 40:7ME208876--6.41-
PE 40:8; [M+H]+@5.92PE 40:8ME208877--5.92-
PE 40:9; [M+H]+@5.45PE 40:9ME208878--5.45-
PE 42:7; [M+H]+@7.00PE 42:7ME208879--7-
PE 42:8; [M+H]+@6.54PE 42:8ME208880--6.54-
PE 44:11; [M+H]+@5.96PE 44:11ME208881--5.96-
PE 44:12; [M+H]+@5.67PE 44:12ME2088829546797-5.67-
PE 46:7; [M+H]+@7.97PE 46:7ME208883--7.97-
plasmenyl-PC 18:0; [M+Na]+@1.82PC P-18:0ME209025--1.82-
plasmenyl-PC 44:4; [M+Na]+@8.51PC P-44:4ME209026--8.51-
plasmenyl-PE 34:0; [M+H]+@7.67PE P-34:0ME209027--7.67-
plasmenyl-PE 34:1; [M+H]+@7.13PE P-34:1ME209028--7.13-
plasmenyl-PE 34:2; [M+H]+@6.75PE P-34:2ME209029--6.75-
plasmenyl-PE 36:2; [M+H]+@7.32PE P-36:2ME209030--7.32-
plasmenyl-PE 36:4; [M+H]+@6.66PE P-36:4ME209031--6.66-
plasmenyl-PE 38:5; [M+H]+@6.79PE P-38:5ME209032--6.79-
plasmenyl-PE 38:6; [M+H]+@6.56PE P-38:6ME209033--6.56-
plasmenyl-PE 40:5; [M+H]+@7.43PE P-40:5ME209034--7.43-
plasmenyl-PE 40:6; [M+H]+@7.19PE P-40:6ME209035--7.19-
plasmenyl-PE 42:5; [M+H]+@7.85PE P-42:5ME209036--7.85-
PS 44:10; [M+H]+@5.34PS 44:10ME208884--5.34-
PS 44:11; [M+H]+@4.89PS 44:11ME208885--4.89-
PS 44:12; [M+H]+@4.70PS 44:12ME20888646891812-4.7-
SM 32:1; [M]+@5.16SM 32:1;O2ME20888711433862-5.16-
SM 33:1; [M]+@5.46SM 33:1;O2ME20888852931139-5.46-
SM 34:1; [M]+@5.82SM 34:1;O2ME208889--5.82-
SM 34:2; [M]+@5.39SM 34:2;O2ME208890--5.39-
SM 35:0; [M]+@6.50SM 35:0;O2ME208891--6.5-
SM 35:1; [M]+@5.69SM 35:1;O2ME208892--5.69-
SM 36:0; [M]+@6.81SM 36:0;O2ME20889352931167-6.81-
SM 36:1; [M]+@6.47SM 36:1;O2ME20889444260139-6.47-
SM 36:2; [M+Na]+@6.07SM 36:2;O2ME208895--6.07-
SM 37:1; [M]+@6.86SM 37:1;O2ME208896--6.86-
SM 37:2; [M]+@6.45SM 37:2;O2ME208897--6.45-
SM 38:0; [M]+@7.45SM 38:0;O2ME20889844260131-7.45-
SM 38:1; [M]+@7.31SM 38:1;O2ME208899--7.31-
SM 38:2; [M]+@6.74SM 38:2;O2ME208900--6.74-
SM 39:1; [M]+@7.59SM 39:1;O2ME208901--7.59-
SM 40:1; [M]+@7.76SM 40:1;O2ME208902--7.76-
SM 40:2; [M]+@7.28SM 40:2;O2ME208903--7.28-
SM 41:1; [M]+@8.16SM 41:1;O2ME208904--8.16-
SM 41:2; [M]+@7.59SM 41:2;O2ME208905--7.59-
SM 42:1; [M]+@8.42SM 42:1;O2ME20890644260133-8.42-
SM 42:2; [M]+@7.76SM 42:2;O2ME208907--7.76-
SM 42:4; [M]+@6.93SM 42:4;O2ME208908--6.93-
SM 43:1; [M]+@8.65SM 43:1;O2ME208909--8.65-
SM 43:2; [M]+@8.06SM 43:2;O2ME208910--8.06-
SM 44:1; [M]+@8.94SM 44:1;O2ME208911--8.94-
SM 44:2; [M]+@8.41SM 44:2;O2ME208912--8.41-
TG 40:0; [M+NH4]+@9.42TG 40:0ME208913--9.42-
TG 40:1; [M+NH4]+@9.12TG 40:1ME208914--9.12-
TG 42:0; [M+NH4]+@9.75TG 42:0ME208915--9.75-
TG 42:1; [M+NH4]+@9.48TG 42:1ME208916--9.48-
TG 42:2; [M+NH4]+@9.19TG 42:2ME208917--9.19-
TG 44:1; [M+NH4]+@9.76TG 44:1ME208918--9.76-
TG 44:2; [M+NH4]+@9.51TG 44:2ME208919--9.51-
TG 46:0; [M+NH4]+@10.26TG 46:0ME208920--10.26-
TG 46:1; [M+NH4]+@10.03TG 46:1ME208921--10.03-
TG 46:2; [M+NH4]+@9.78TG 46:2ME208922--9.78-
TG 46:3; [M+NH4]+@9.59TG 46:3ME208923--9.59-
TG 48:0; [M+NH4]+@10.51TG 48:0ME208924--10.51-
TG 48:1; [M+NH4]+@10.27TG 48:1ME208925--10.27-
TG 48:2; [M+NH4]+@10.05TG 48:2ME208926--10.05-
TG 48:3; [M+NH4]+@9.82TG 48:3ME208927--9.82-
TG 49:0; [M+NH4]+@10.65TG 49:0ME208928--10.65-
TG 49:1; [M+NH4]+@10.46TG 49:1ME208929--10.46-
TG 49:2; [M+NH4]+@10.24TG 49:2ME208930--10.24-
TG 49:3; [M+NH4]+@10.00TG 49:3ME208931--10-
TG 50:0; [M+NH4]+@10.75TG 50:0ME208932--10.75-
TG 50:1; [M+NH4]+@10.52TG 50:1ME208933--10.52-
TG 50:2; [M+NH4]+@10.30TG 50:2ME208934--10.3-
TG 50:3; [M+NH4]+@10.09TG 50:3ME208935--10.09-
TG 50:4; [M+NH4]+@9.88TG 50:4ME208936--9.88-
TG 50:5; [M+NH4]+@9.69TG 50:5ME208937--9.69-
TG 51:1; [M+NH4]+@10.68TG 51:1ME208938--10.68-
TG 51:2; [M+NH4]+@10.49TG 51:2ME208939--10.49-
TG 51:3; [M+NH4]+@10.29TG 51:3ME208940--10.29-
TG 51:4; [M+NH4]+@10.08TG 51:4ME208941--10.08-
TG 51:5; [M+NH4]+@9.86TG 51:5ME208942--9.86-
TG 52:0; [M+NH4]+@11.00TG 52:0ME208943--11-
TG 52:1; [M+NH4]+@10.79TG 52:1ME208944--10.79-
TG 52:2; [M+NH4]+@10.54TG 52:2ME208945--10.54-
TG 52:3; [M+NH4]+@10.33TG 52:3ME208946--10.33-
TG 52:4; [M+NH4]+@10.13TG 52:4ME208947--10.13-
TG 52:5; [M+NH4]+@9.96TG 52:5ME208948--9.96-
TG 52:6; [M+NH4]+@9.79TG 52:6ME208949--9.79-
TG 52:7; [M+NH4]+@9.63TG 52:7ME208950--9.63-
TG 53:0; [M+NH4]+@11.13TG 53:0ME208951--11.13-
TG 53:1; [M+NH4]+@10.91TG 53:1ME208952--10.91-
TG 53:2; [M+NH4]+@10.71TG 53:2ME208953--10.71-
TG 53:3; [M+NH4]+@10.52TG 53:3ME208954--10.52-
TG 53:4; [M+NH4]+@10.33TG 53:4ME208955--10.33-
TG 53:5; [M+NH4]+@10.14TG 53:5ME208956--10.14-
TG 54:1; [M+NH4]+@11.03TG 54:1ME208957--11.03-
TG 54:2; [M+NH4]+@10.82TG 54:2ME208958--10.82-
TG 54:3; [M+NH4]+@10.60TG 54:3ME208959--10.6-
TG 54:4; [M+NH4]+@10.40TG 54:4ME208960--10.4-
TG 54:5; [M+NH4]+@10.20TG 54:5ME208961--10.2-
TG 54:6; [M+NH4]+@10.02TG 54:6ME208962--10.02-
TG 54:7; [M+NH4]+@9.88TG 54:7ME208963--9.88-
TG 54:8; [M+NH4]+@9.68TG 54:8ME208964--9.68-
TG 55:3; [M+NH4]+@10.75TG 55:3ME208965--10.75-
TG 55:6; [M+NH4]+@10.31TG 55:6ME208966--10.31-
TG 55:7; [M+NH4]+@10.12TG 55:7ME208967--10.12-
TG 56:2; [M+NH4]+@11.05TG 56:2ME208968--11.05-
TG 56:3; [M+NH4]+@10.85TG 56:3ME208969--10.85-
TG 56:4; [M+NH4]+@10.67TG 56:4ME208970--10.67-
TG 56:5; [M+NH4]+@10.51TG 56:5ME208971--10.51-
TG 56:6; [M+NH4]+@10.33TG 56:6ME208972--10.33-
TG 56:7; [M+NH4]+@10.20TG 56:7ME208973--10.2-
TG 56:8; [M+NH4]+@9.99TG 56:8ME208974--9.99-
TG 56:9; [M+NH4]+@9.80TG 56:9ME208975--9.8-
TG 57:3; [M+NH4]+@10.96TG 57:3ME208976--10.96-
TG 57:7; [M+NH4]+@10.33TG 57:7ME208977--10.33-
TG 57:8; [M+NH4]+@10.13TG 57:8ME208978--10.13-
TG 58:10; [M+NH4]+@9.91TG 58:10ME208979--9.91-
TG 58:11; [M+NH4]+@9.75TG 58:11ME208980--9.75-
TG 58:12; [M+NH4]+@9.58TG 58:12ME208981--9.58-
TG 58:3; [M+NH4]+@11.07TG 58:3ME208982--11.07-
TG 58:4; [M+NH4]+@10.87TG 58:4ME208983--10.87-
TG 58:5; [M+NH4]+@10.75TG 58:5ME208984--10.75-
TG 58:6; [M+NH4]+@10.57TG 58:6ME208985--10.57-
TG 58:7; [M+NH4]+@10.40TG 58:7ME208986--10.4-
TG 58:8; [M+NH4]+@10.28TG 58:8ME208987--10.28-
TG 58:9; [M+NH4]+@10.09TG 58:9ME208988--10.09-
TG 60:10; [M+NH4]+@10.15TG 60:10ME208989--10.15-
TG 60:11; [M+NH4]+@10.01TG 60:11ME208990--10.01-
TG 60:12; [M+NH4]+@9.88TG 60:12ME208991--9.88-
TG 60:13; [M+NH4]+@9.69TG 60:13ME208992--9.69-
TG 60:6; [M+NH4]+@10.80TG 60:6ME208993--10.8-
TG 60:7; [M+NH4]+@10.59TG 60:7ME208994--10.59-
TG 60:8; [M+NH4]+@10.52TG 60:8ME208995--10.52-
TG 60:9; [M+NH4]+@10.31TG 60:9ME208996--10.31-


Analysis: Amino, Aminopropyl HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-GLYCEROPHOSPHATE3-Phosphoglyceric acidME209077754---
5'-GUANYLIC ACIDGMPME2090756804---
ACETYLPHOSPHATEAcetylphosphateME209045186---
CREATINECreatineME209053586---
D-GLUCOSEGlucoseME2090525793---
DL-HOMOCYSTEIC ACIDHomocysteic acidME20908192117---
DL-SERINESerineME209066617---
D-PANTOTHENIC ACIDPantothenic acidME2090746613---
GLUCONIC ACIDGluconic acidME20903810690---
GLUTATHIONEGlutathioneME209042124886---
GUANOSINE DIPHOSPHATEGDPME2090808977---
HYPOXANTHINEHypoxanthineME209078790---
INOSINEInosineME2090596021---
INOSINIC ACIDIMPME2090798582---
L-ALANINEAlanineME2090545950---
L-ARGININEArginineME2090726322---
L-ASPARAGINEAsparagineME2090676267---
L-ASPARTIC ACIDAspartic acidME2090565960---
L-CITRULLINECitrullineME2090839750---
L-GLUTAMIC ACIDGlutamic acidME20904633032---
L-GLUTAMINEGlutamineME2090575961---
L-HISTIDINEHistidineME2090686274---
L-LYSINELysineME2090585962---
L-METHIONINEMethionineME2090646137---
L-PHENYLALANINEPhenylalanineME2090656140---
L-PROLINEProlineME209043145742---
L-THREONINEThreonineME2090706288---
L-TRYPTOPHANTryptophanME2090716305---
L-TYROSINETyrosineME2090626057---
L-VALINEValineME2090696287---
N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATEN-Acetyl-D-glucosamine 1-phosphateME209047440272---
OLEIC ACIDOleic acidME209048445639---
O-PHOSPHO-L-SERINEPhosphoserineME20907668841---
OXIGLUTATIONEOxidized glutathioneME20907365359---
PALMITIC ACIDPalmitic acidME209084985---
PHENYLPYRUVIC ACIDPhenylpyruvic acidME209085997---
PHOSPHOCREATINEPhosphocreatineME2090829548602---
PHOSPHOENOLPYRUVATEPhosphoenolpyruvic acidME2090371005---
ROBISON ESTERGlucose 6-phosphateME2090555958---
STEARIC ACIDStearic acidME2090505281---
TAURINETaurineME2090391123---
UDPGLUCOSEUDP-glucoseME20905153477679---
UDP-GLUCURONIC ACIDUDP-glucuronic acidME20904417473---
UDP-N-ACETYLGLUCOSAMINEUDP-N-acetylglucosamineME209049445675---
URIC ACIDUric acidME2090401175---
URIDINE 5'-DIPHOSPHATEUDPME2090616031---
URIDINE 5'-TRIPHOSPHATEUTPME2090636133---
URIDYLIC ACIDUMPME2090606030---
XANTHINEXanthineME2090411188---


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