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Analysis: RP POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Acylcarnitine C16:0 [M+H]+CAR 16:0ME11847511953816C029901.652400.342
Acylcarnitine C18:0 [M+H]+CAR 18:0ME11847652922056-2.402428.3733
Acylcarnitine C18:1 [M+H]+CAR 18:1ME1184776441392-1.804426.3578
Acylcarnitine C18:2 [M+H]+CAR 18:2ME11847851000598-1.393424.3427
CE (18:1) [M+Na]+_CE (18:1) [M+NH4]+CE 18:1ME1184795283632C1464110.965673.5893
CE (18:2) [M+Na]+_CE (18:2) [M+NH4]+CE 18:2ME1184805287939C1544110.472671.5739
CE (20:3) [M+NH4]+CE 20:3ME11848153480461-10.361692.6313
CE (22:6) [M+Na]+_CE (22:6) [M+NH4]+CE 22:6ME11848214274978C025309.970719.5744
Ceramide (d18:1/23:0) [M+Na]+Cer 18:1;O2/23:0ME11848352931115-8.042658.6109
Ceramide (d40:1) [M+Na]+Cer 40:1;O2ME118484--7.719644.5946
Ceramide (d42:1) [M+Na]+_Ceramide (d42:1) [M+H-H2O...Cer 42:1;O2ME118485--8.351672.6233
Ceramide (d42:2) [M+H-H2O]+_Ceramide (d42:2) [M+Na...Cer 42:2;O2ME118486--7.678630.618
DG (36:2) [M+Na]+DG 36:2ME118487--7.008643.528
DG (36:3) [M+NH4]+_DG (36:3) [M+Na]+DG 36:3ME118488--6.471636.5557
DG (36:4) [M+NH4]+DG 36:4ME118489--5.938634.5404
DG (38:5) [M+NH4]+DG 38:5ME118490--6.311660.556
DG (38:6) [M+NH4]+DG 38:6ME118491--5.784658.54
LPC (14:0) [M+H]+LPC 14:0ME118492460604C042301.038468.3087
LPC (15:0) [M+H]+LPC 15:0ME118493--1.257482.3246
LPC (16:0) [M+H]+_NOIDLPC 16:0ME118494460602C042301.531496.3405
LPC (16:1) [M+H]+LPC 16:1ME118495--1.148494.3243
LPC (18:0) [M+H]+_NOIDLPC 18:0ME118496--2.278524.3716
LPC (18:1) [M+H]+LPC 18:1ME118497--1.672522.3559
LPC (18:2) [M+H]+_NOIDLPC 18:2ME118498--1.282520.3398
LPC (20:0) [M+H]+LPC 20:0ME118499--3.053552.4026
LPC (20:1) [M+H]+LPC 20:1ME118500--2.413550.3868
LPC (20:2) [M+H]+LPC 20:2ME118501--1.872548.3709
LPC (20:4) [M+H]+_NOIDLPC 20:4ME118502--1.255544.34
LPC (22:4) [M+H]+LPC 22:4ME118503--1.698572.3722
LPC (22:5) [M+H]+LPC 22:5ME118504--1.494570.3556
LPC (22:6) [M+H]+LPC 22:6ME118505--1.208568.3395
LPC (o-16:0) [M+H]+LPC O-16:0ME118506162126C139031.797482.3624
LPC (p-16:0) or LPC (o-16:1) [M+H]+LPC P-16:0 or LPC O-16:1ME118507--1.730480.3442
LPC (p-18:0) or LPC (o-18:1) [M+H]+LPC P-18:0 or LPC O-18:1ME118508--1.945508.3763
PC (31:0) [M+H]+PC 31:0ME118509--5.138720.5561
PC (32:0) [M+H]+PC 32:0ME118510--5.465734.5709
PC (32:1) [M+H]+_NOIDPC 32:1ME118511--4.900732.5549
PC (32:2) [M+H]+PC 32:2ME118512--4.460730.5382
PC (33:1) [M+H]+PC 33:1ME118513--5.222746.5698
PC (33:2) [M+H]+PC 33:2ME118514--4.754744.5543
PC (34:0) [M+H]+PC 34:0ME118515--6.133762.6011
PC (34:2) [M+Na]+PC 34:2ME118516--5.063780.5541
PC (34:3) [M+H]+PC 34:3ME118517--4.597756.5541
PC (34:4) [M+H]+PC 34:4ME118518--4.379754.5383
PC (35:1) [M+H]+PC 35:1ME118519--5.862774.6002
PC (35:2) [M+H]+PC 35:2ME118520--5.371772.5866
PC (35:3) [M+H]+PC 35:3ME118521--4.813770.5679
PC (35:4) [M+H]+PC 35:4ME118522--4.664768.5544
PC (36:1) [M+H]+PC 36:1ME118523--6.200788.6173
PC (36:2) [M+H]+_NOIDPC 36:2ME118524--5.701786.5998
PC (36:3) A [M+H]+PC 36:3ME118525--5.002784.5854
PC (36:5) A [M+H]+_NOIDPC 36:5ME118526--4.469780.5542
PC (37:2) [M+H]+PC 37:2ME118527--5.933800.6162
PC (37:4) [M+H]+PC 37:4ME118528--5.278796.5879
PC (37:6) [M+H]+PC 37:6ME118529--4.517792.5538
PC (38:2) [M+H]+PC 38:2ME118530--6.265814.6347
PC (38:3) [M+H]+PC 38:3ME118531--5.628812.6142
PC (38:5) A [M+H]+_NOIDPC 38:5ME118532--5.012808.5848
PC (38:6) A [M+H]+_NOIDPC 38:6ME118533--4.816806.5688
PC (38:7) [M+H]+PC 38:7ME118534--4.303804.5568
PC (40:5) B [M+H]+PC 40:5ME118535--5.834836.6146
PC (40:6) B [M+H]+_NOIDPC 40:6ME118536--5.419834.5984
PC (40:7) [M+H]+_NOIDPC 40:7ME118537--4.857832.5826
PC (40:8) [M+H]+PC 40:8ME118538--4.464830.5699
PC (42:5) [M+H]+PC 42:5ME118539--6.257864.6474
PC (42:6) [M+H]+PC 42:6ME118540--5.859862.6306
PC (o-32:0) [M+H]+PC O-32:0ME118541--5.863742.5724
PC (p-34:0) or PC (o-34:1) [M+H]+PC P-34:0 or PC O-34:1ME118542--5.920746.6054
PC (p-34:1) or PC (o-34:2) A [M+H]+PC P-34:1 or PC O-34:2ME118543--5.418744.5893
PC (p-34:2) or PC (o-34:3) [M+H]+PC P-34:2 or PC O-34:3ME118544--5.320742.5713
PC (p-36:1) or PC (o-36:2) [M+H]+PC P-36:1 or PC O-36:2ME118545--6.002772.6201
PC (p-36:4) or PC (o-36:5) [M+H]+_NOIDPC P-36:4 or PC O-36:5ME118546--5.220766.5726
PC (p-38:3) or PC (o-38:4) [M+H]+PC P-38:3 or PC O-38:4ME118547--5.990796.6188
PC (p-40:3) or PC (o-40:4) [M+H]+PC P-40:3 or PC O-40:4ME118548--6.658824.6518
PC (p-40:4) or PC (o-40:5) [M+H]+PC P-40:4 or PC O-40:5ME118549--5.869822.634
PC (p-42:4) or PC (o-42:5) [M+H]+PC P-42:4 or PC O-42:5ME118550--6.645850.6676
PC (p-42:5) or PC (o-42:6) [M+H]+PC P-42:5 or PC O-42:6ME118551--6.083848.6494
PE (p-36:4) or PE (o-36:5) [M+H]+PE P-36:4 or PE O-36:5ME118552--5.402724.5275
PE (p-38:4) or PE (o-38:5) [M+H]+PE P-38:4 or PE O-38:5ME118553--6.075752.5572
SM (d32:1) [M+H]+SM 32:1;O2ME118554--4.164675.5434
SM (d33:1) [M+H]+SM 33:1;O2ME118555--4.455689.5588
SM (d34:1) [M+H]+_NOIDSM 34:1;O2ME118556--4.762703.5755
SM (d34:2) [M+H]+_NOIDSM 34:2;O2ME118557--4.260701.5593
SM (d36:1) [M+H]+_NOIDSM 36:1;O2ME118558--5.415731.6063
SM (d36:2) [M+H]+SM 36:2;O2ME118559--4.864729.5903
SM (d38:1) [M+H]+SM 38:1;O2ME118560--6.099759.6363
SM (d39:1) [M+H]+SM 39:1;O2ME118561--6.453773.6511
SM (d40:1) [M+H]+SM 40:1;O2ME118562--6.786787.6686
SM (d40:2) [M+H]+ ASM 40:2;O2ME118563--6.110785.6523
SM (d41:1) [M+H]+_NOIDSM 41:1;O2ME118564--7.126801.6845
SM (d41:2) [M+H]+SM 41:2;O2ME118565--6.548799.6683
SM (d42:1) [M+H]+_NOIDSM 42:1;O2ME118566--7.455815.7005
SM (d42:2) [M+H]+ A_NOIDSM 42:2;O2ME118567--6.765813.6849
SM (d42:3) [M+H]+_NOIDSM 42:3;O2ME118568--6.192811.6632
SM (d43:1) [M+H]+SM 43:1;O2ME118569--7.655829.7155
SM (d43:2) [M+H]+ ASM 43:2;O2ME118570--7.089827.6989
SM (d44:2) [M+H]+SM 44:2;O2ME118571--7.423841.7149
TG (46:1) [M+Na]+_TG (46:1) [M+NH4]+TG 46:1ME118572--10.030799.6787
TG (46:2) [M+NH4]+_TG (46:2) [M+Na]+TG 46:2ME118573--9.597792.7071
TG (48:3) [M+Na]+_TG (48:3) [M+NH4]+TG 48:3ME118574--9.635823.6795
TG (49:0) [M+NH4]+TG 49:0ME118575--11.040838.7852
TG (49:1) [M+NH4]+_TG (49:1) [M+Na]+TG 49:1ME118576--10.679836.7701
TG (49:2) [M+Na]+_TG (49:2) [M+NH4]+TG 49:2ME118577--10.302839.7101
TG (49:3) [M+NH4]+TG 49:3ME118578--9.882832.7408
TG (50:1) [M+NH4]+TG 50:1ME118579--10.899850.785
TG (50:2) [M+NH4]+TG 50:2ME118580--10.505848.7701
TG (50:3) [M+Na]+TG 50:3ME118581--10.109851.7107
TG (50:3) [M+NH4]+TG 50:3ME118582--10.124846.7546
TG (50:4) [M+NH4]+_TG (50:4) [M+Na]+TG 50:4ME118583--9.699844.7398
TG (51:1) [M+NH4]+TG 51:1ME118584--11.051864.801
TG (51:2) [M+Na]+_TG (51:2) [M+NH4]+TG 51:2ME118585--10.701867.7418
TG (51:3) [M+NH4]+_TG (51:3) [M+Na]+TG 51:3ME118586--10.329860.7701
TG (51:4) [M+NH4]+_TG (51:4) [M+Na]+TG 51:4ME118587--9.946858.7551
TG (52:2) [M+NH4]+TG 52:2ME118588--10.911876.7996
TG (52:3) [M+Na]+TG 52:3ME118589--10.555879.7399
TG (52:4) [M+Na]+_TG (52:4) [M+NH4]+TG 52:4ME118590--10.154877.725
TG (52:5) [M+Na]+_TG (52:5) [M+NH4]+TG 52:5ME118591--9.905875.7115
TG (52:6) [M+NH4]+_TG (52:6) [M+Na]+TG 52:6ME118592--9.549868.7387
TG (53:1) [M+NH4]+TG 53:1ME118593--11.417892.829
TG (53:3) [M+NH4]+_TG (53:3) [M+Na]+TG 53:3ME118594--10.725888.8007
TG (53:4) [M+NH4]+TG 53:4ME118595--10.369891.748
TG (54:1) [M+Na]+_TG (54:1) [M+NH4]+TG 54:1ME118596--11.644911.8029
TG (54:4) [M+NH4]+TG 54:4ME118597--10.578900.7974
TG (54:5) [M+Na]+_TG (54:5) [M+NH4]+TG 54:5ME118598--10.388903.7393
TG (54:6) [M+Na]+_TG (54:6) [M+NH4]+TG 54:6ME118599--10.020901.7296
TG (54:8) [M+NH4]+TG 54:8ME118600--9.391892.7352
TG (55:1) [M+NH4]+TG 55:1ME118601--11.733920.8631
TG (55:2) [M+NH4]+_TG (55:2) [M+Na]+TG 55:2ME118602--11.423918.846
TG (55:3) [M+Na]+_TG (55:3) [M+NH4]+TG 55:3ME118603--11.100921.7875
TG (56:1) [M+NH4]+_TG (56:1) [M+Na]+TG 56:1ME118604--11.864934.8788
TG (56:2) [M+Na]+_TG (56:2) [M+NH4]+TG 56:2ME118605--11.636937.819
TG (56:3) [M+NH4]+_TG (56:3) [M+Na]+TG 56:3ME118606--11.284930.8438
TG (56:5) [M+Na]+TG 56:5ME118608--10.548931.7706
TG (56:6) [M+NH4]+TG 56:6ME118609--10.419924.8008
TG (56:7) [M+Na]+_TG (56:7) [M+NH4]+TG 56:7ME118610--10.066927.7416
TG (56:8) [M+NH4]+TG 56:8ME118611--9.864920.769
TG (58:1) [M+NH4]+_TG (58:1) [M+Na]+TG 58:1ME118612--11.999962.9092
TG (58:10) [M+Na]+_TG (58:10) [M+NH4]+TG 58:10ME118613--9.516949.7288
TG (58:2) [M+NH4]+_TG (58:2) [M+Na]+TG 58:2ME118614--11.866960.8914
TG (58:3) [M+Na]+_TG (58:3) [M+NH4]+TG 58:3ME118615--11.654963.8357
TG (58:6) [M+Na]+TG 58:6ME118616--10.759957.7897
TG (58:8) [M+NH4]+TG 58:8ME118617--10.272948.7975
TG (58:9) [M+Na]+_TG (58:9) [M+NH4]+TG 58:9ME118618--9.908951.7421
TG (60:2) [M+Na]+_TG (60:2) [M+NH4]+TG 60:2ME118619--11.993993.8824


Analysis: RP NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
FA (20:0) [M-H]- (arachidic acid)Arachidic acidME11863810467C064253.852311.2948
FA (20:4) [M-H]- (arachidonic acid)Arachidonic acidME118642444899C002191.964303.2326
FA (22:0) [M-H]- (behenic acid)Behenic acidME1186438215C082814.516339.3258
Ceramide (d34:1) [M+HAc-H]-_Ceramide (d34:1) [M+Cl...Cer 34:1;O2ME118620--5.717596.524
Ceramide (d40:1) [M+Cl]-Cer 40:1;O2ME118621--7.788656.5735
Ceramide (d41:1) [M+Cl]-Cer 41:1;O2ME118622--8.118670.5893
Ceramide (d42:1) [M+HAc-H]-_Ceramide (d42:1) [M+Cl...Cer 42:1;O2ME118623--8.436708.6492
Ceramide (d42:2) [M+Cl]- A_Ceramide (d42:2) [M+HAc...Cer 42:2;O2ME118624--7.752682.5901
Ceramide (d43:1) [M+Cl]-Cer 43:1;O2ME118625--8.64698.6204
FA (22:1) [M-H]- (erucic acid)cis-Erucic acidME118644--3.898337.31
FA (20:3) [M-H]- (homo-gamma-linolenic acid)Dihomo-gamma-linolenic acidME1186415280581C032422.477305.2492
FA (22:6) [M-H]- (docosahexaenoic acid)Docosahexaenoic acidME118645445580C064291.755327.2324
FA (20:2) [M-H]- (eicosadienoic acid)Eicosadienoic acidME1186406439848C165252.925307.2634
FA (20:1) [M-H]- (eicosenoic acid)Eicosenoic acidME1186395282768C165263.336309.2792
FA (17:1) [M-H]- (heptadecenoic acid)Heptadecenoic acidME118633--2.268267.2313
FA (12:0) [M-H]- (lauric acid)Lauric acidME1186263893C026791.097199.1702
FA (24:0) [M-H]- (lignoceric acid)Lignoceric acidME11864611197C083205.266367.3565
FA (18:2) [M-H]- (linoleic acid)Linoleic acidME1186365280450C015952.097279.2327
LPC (16:0) [M+HAc-H]-LPC 16:0ME118648460602C042301.531554.345
LPC (16:1) [M+HAc-H]-LPC 16:1ME118649--1.136552.3287
LPC (18:0) [M+HAc-H]- A_LPC 18:0ME118650--2.294582.3764
LPC (18:1) [M+HAc-H]-LPC 18:1ME118651--1.675580.3606
LPC (18:2) [M+HAc-H]-LPC 18:2ME118652--1.28578.3443
FA (17:0) [M-H]- (margaric acid)Margaric acidME11863210465-2.968269.2481
FA (14:0) [M-H]- (myristic acid)Myristic acidME11862711005C064241.673227.2014
FA (24:1) [M-H]- (nervonic acid)Nervonic acidME1186475281120C083234.537365.3411
FA (18:3) [M-H]- (linolenic acid)Octadecatrienoic acidME1186375280933C064261.663277.2162
FA (18:1) [M-H]- (oleic acid)Oleic acidME118635445639C007122.739281.2483
FA (16:0) [M-H]- (palmitic acid)Palmitic acidME118630985C002492.53255.2328
FA (16:1) [M-H]- (palmitoleic acid)Palmitoleic acidME118631445638C083621.852253.217
PC (32:0) [M+HAc-H]-PC 32:0ME118653--5.55792.5745
PC (34:0) [M+HAc-H]-PC 34:0ME118654--6.211820.6074
PC (34:1) [M+HAc-H]-PC 34:1ME118655--5.601818.5898
PC (34:2) [M+HAc-H]-PC 34:2ME118656--5.138816.5739
PC (34:3) [M+HAc-H]-PC 34:3ME118657--4.618814.5585
PC (34:4) [M+HAc-H]-PC 34:4ME118658--4.435812.5428
PC (36:1) [M+HAc-H]-PC 36:1ME118659--6.289846.6217
PC (36:2) [M+HAc-H]-PC 36:2ME118660--5.789844.6048
PC (36:3) [M+HAc-H]- APC 36:3ME118661--5.149842.5856
PC (36:4) [M+HAc-H]- APC 36:4ME118662--5.023840.5744
PC (36:4) [M+HAc-H]- BPC 36:4ME118663--4.724840.5738
PC (36:5) [M+HAc-H]- APC 36:5ME118664--4.518838.5583
PC (37:4) [M+HAc-H]-PC 37:4ME118665--5.348854.5899
PC (38:3) [M+HAc-H]-PC 38:3ME118666--5.96870.6188
PC (38:4) [M+HAc-H]- APC 38:4ME118667--5.681868.6056
PC (38:5) [M+HAc-H]- APC 38:5ME118668--5.09866.5901
PC (38:6) [M+HAc-H]-PC 38:6ME118669--4.837864.574
PC (40:4) [M+HAc-H]-PC 40:4ME118670--6.147896.6366
PC (40:5) [M+HAc-H]- APC 40:5ME118671--5.941894.6213
PC (40:6) [M+HAc-H]- BPC 40:6ME118672--5.501892.6056
PC (p-36:3) or PC (o-36:4) [M+HAc-H]-PC P-36:3 or PC O-36:4ME118673--5.394826.5945
PC (p-38:4) or PC (o-38:5) [M+HAc-H]- APC P-38:4 or PC O-38:5ME118674--5.448852.6104
PE (38:4) [M-H]- BPE 38:4ME118675--5.821766.5377
PE (38:6) [M-H]-PE 38:6ME118676--5.019762.5051
FA (15:0) [M-H]- (pentadecylic acid)Pentadecylic acidME11862913849C165372.062241.2169
FA (14:1) [M-H]- (physeteric acid)Physeteric acidME1186285281119C083221.259225.1858
SM (d32:1) [M+HAc-H]-SM 32:1;O2ME118677--4.206733.5483
SM (d34:1) [M+HAc-H]-SM 34:1;O2ME118678--4.802761.5798
SM (d34:2) [M+HAc-H]-SM 34:2;O2ME118679--4.306759.5639
SM (d36:1) [M+HAc-H]-SM 36:1;O2ME118680--5.492789.6103
SM (d40:1) [M+HAc-H]-SM 40:1;O2ME118681--6.879845.6729
SM (d40:2) [M+HAc-H]- ASM 40:2;O2ME118682--6.191843.657
SM (d42:1) [M+HAc-H]-SM 42:1;O2ME118683--7.545873.7047
SM (d42:2) [M+HAc-H]- ASM 42:2;O2ME118684--6.845871.6891
SM (d42:3) [M+HAc-H]-SM 42:3;O2ME118685--6.271869.672
FA (18:0) [M-H]- (stearic acid)Stearic acidME1186345281C015303.267283.2641


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