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Analysis: ESI/QTOF positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Hexadecanoyl-sn-glycero-3-phosphocholineLPC 16:0ME652860460602C042301.42518.3223
Acylcarnitine C16:0CAR 16:0ME65286111953816C029901.5400.3414
Acylcarnitine C18:0CAR 18:0ME65286252922056-2.24428.3726
Acylcarnitine C18:1CAR 18:1ME6528636441392-1.66426.3569
Acylcarnitine C18:2CAR 18:2ME65286451000598-1.26424.344
CE (18:1)CE 18:1ME6528655283632C1464110.86673.5855
CE (18:2)CE 18:2ME6528665287939C1544110.39671.5736
CE (20:4)CE 20:4ME65286753480459-10.15695.5732
CE (22:6)CE 22:6ME65286814274978C025309.89719.5722
CholesterolCholesterolME6528695997C001874.79369.3514
DG (36:3)DG 36:3ME652870--6.39641.5139
LPC (15:0)LPC 15:0ME652871--1.15482.3238
LPC (16:0)LPC 16:0ME652872460602C042301.42496.3397
LPC (16:1)LPC 16:1ME65287324779461-1.05494.3238
LPC (18:0)LPC 18:0ME65287424779491-2.16524.3711
LPC (18:1)LPC 18:1ME65287553480465-1.56522.3554
LPC (18:2)LPC 18:2ME65287656955896-1.17520.3395
LPC (20:1)LPC 20:1ME652877--2.3550.3843
LPC (20:2)LPC 20:2ME65287852924053-1.73548.3693
LPC (20:3)LPC 20:3ME65287953480467-1.34546.3561
LPC (20:4)LPC 20:4ME65288053480469-1.14544.3405
LPC (20:5)LPC 20:5ME65288111757087-1.17542.3224
LPC (22:6)LPC 22:6ME65288210415542-1.09568.3372
N-Stearoyl-4-sphingenyl-1-O-phosphorylcholine-ME652883--5.34753.5853
N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholineSM 18:1;O2/24:1ME652884--6.67813.6837
Oleoyl ethylamideOleoyl-EAME652885--3.15310.31
PC (16:0/16:0)PC 16:0/16:0ME652886452110C001575.39734.5693
PC (18:1/16:0)PC 18:1/16:0ME652887--5.46760.5832
PC 32:0PC 32:0ME652917--5.38756.5541
PC (32:1)PC 32:1ME652888--4.86732.5534
PC 32:1PC 32:1ME652918--4.87754.5434
PC (32:2)PC 32:2ME652889--4.39730.5376
PC (33:1)PC 33:1ME652890--5.15746.5684
PC (33:2)PC 33:2ME652891--4.68744.5545
PC 33:2PC 33:2ME652919--4.69766.5394
PC (34:0)PC 34:0ME652892--6.05762.6001
PC (34:2)PC 34:2ME652893--4.98758.5694
PC (34:3)PC 34:3ME652894--4.51756.5536
PC (34:4)PC 34:4ME652895--4.28754.5386
PC (35:1)PC 35:1ME652896--5.79774.5974
PC (35:2)PC 35:2ME652897--5.3772.5861
PC (35:3)PC 35:3ME652898--4.78770.5697
PC (35:4)PC 35:4ME652899--4.59768.5533
PC (36:2)PC 36:2ME652900--5.62786.5996
PC 36:2PC 36:2ME652920--5.62808.5845
PC (36:3) APC 36:3ME652901--5.05784.581
PC (36:4)PC 36:4ME652902--4.89782.5681
PC 36:4PC 36:4ME652921--4.88804.5525
PC (36:5) CPC 36:5ME652903--5780.5517
PC (36:6)PC 36:6ME652904--4.18778.5385
PC (37:2)PC 37:2ME652905--5.94800.6155
PC (37:4)PC 37:4ME652906--5.19796.5854
PC (37:6)PC 37:6ME652907--4.44792.5542
PC (38:2)PC 38:2ME652908--6.24814.6318
PC (38:4) APC 38:4ME652909--5.52810.5988
PC (38:5) APC 38:5ME652910--4.9808.5821
PC 38:6PC 38:6ME652922--4.75828.5521
PC (38:6) APC 38:6ME652911--4.74806.5678
PC (39:6)PC 39:6ME652912--5.03820.5845
PC (40:4)PC 40:4ME652913--6.03838.6294
PC 40:6PC 40:6ME652923--5.35856.5826
PC (40:6) APC 40:6ME652914--5.35834.5987
PC (40:7)PC 40:7ME652915--4.79832.5851
PC (40:8)PC 40:8ME652916--4.38830.5694
PC 42:10PC 42:10ME652924--4.26854.5698
PC-O (32:0) (plasmanyl/plasmenyl)PC O-32:0ME652925--5.78720.5889
PC-O (34:1) (plasmanyl/plasmenyl)PC P-34:0 or PC O-34:1ME652926--5.84746.6022
PC-O (34:2) (plasmanyl/plasmenyl)PC P-34:1 or PC O-34:2ME652927--5.35744.5881
PC-O (36:2) (plasmanyl/plasmenyl)PC P-36:1 or PC O-36:2ME652928--6.02772.6193
PC-O (36:3) (plasmanyl/plasmenyl)PC P-36:2 or PC O-36:3ME652929--5.42770.6004
PC-O (36:4) (plasmanyl/plasmenyl)PC P-36:3 or PC O-36:4ME652930--5.25768.5879
PC-O (36:5) (plasmanyl/plasmenyl)PC P-36:4 or PC O-36:5ME652931--5.15766.5731
PC-O (38:4) (plasmanyl/plasmenyl)PC P-38:3 or PC O-38:4ME652932--5.9796.6181
PC-O (38:6) (plasmanyl/plasmenyl)PC P-38:5 or PC O-38:6ME652933--5.08792.5871
PC-O (40:4) (plasmanyl/plasmenyl)PC P-40:3 or PC O-40:4ME652934--6.57824.6496
PC-O (40:7) (plasmanyl/plasmenyl)PC P-40:6 or PC O-40:7ME652935--5.6818.6054
PC-O (40:8) (plasmanyl/plasmenyl)PC P-40:7 or PC O-40:8ME652936--5.31816.5911
PE (38:6)PE 38:6ME652937--4.88764.5251
PE-O (36:5) (plasmanyl/plasmenyl)PE P-36:4 or PE O-36:5ME652938--5.34724.5257
PE-O (38:5) (plasmanyl/plasmenyl)PE P-38:4 or PE O-38:5ME652939--5.99752.5564
plasmenyl-PE 40:6PE P-40:6ME652940--5.8776.5731
SM (33:1)SM 33:1;O2ME652941--4.38689.556
SM (34:0)SM 34:0;O2ME652942--4.91705.5886
SM 34:1SM 34:1;O2ME65295570678679-4.69725.5546
SM (d16:1/20:0)SM 16:1;O2/20:0ME65294352931165-5.33731.6054
SM (d16:1/20:1)SM 16:1;O2/20:1ME65294452931157-4.79729.5896
SM (d18:1/14:0)SM 18:1;O2/14:0ME65294511433862-4.1675.5399
SM (d18:1/16:0)SM 18:1;O2/16:0ME6529469939941-4.68703.5725
SM (d18:1/16:1)SM 18:1;O2/16:1ME65294752931145-4.19701.558
SM (d18:2/23:0)SM 18:2;O2/23:0ME65294852931209-6.39799.6626
SM (d18:2/24:1)SM 18:2;O2/24:1ME65294952931215-6.1811.6586
SM (d38:1)SM 38:1;O2ME652950--6.01759.6337
SM (d40:1)SM 40:1;O2ME652951--6.7787.667
SM (d40:2) ASM 40:2;O2ME652952--6.08785.651
SM (d41:1)SM 41:1;O2ME652953--7.04801.6827
SM (d42:1)SM 42:1;O2ME652954--7.37815.6988
TG (46:0)TG 46:0ME652956--10.39796.7376
TG (48:0)TG 48:0ME652957--10.8829.7244
TG (48:1)TG 48:1ME652958--10.41822.7538
TG (48:2)TG 48:2ME652959--10.01825.6937
TG (49:1)TG 49:1ME652960--10.62841.7234
TG (49:2)TG 49:2ME652961--10.24839.7087
TG (50:0)TG 50:0ME652962--11.2857.7534
TG (50:1)TG 50:1ME652963--10.81855.7402
TG (50:2)TG 50:2ME652964--10.45853.7255
TG (50:3)TG 50:3ME652965--10.04851.7095
TG (50:4)TG 50:4ME652966--9.63849.6925
TG (51:1)TG 51:1ME652967--11.02864.796
TG (51:2)TG 51:2ME652968--10.65867.74
TG (51:3)TG 51:3ME652969--10.26865.7246
TG (51:4)TG 51:4ME652970--9.86863.708
TG (52:0)TG 52:0ME652971--11.57885.7848
TG (52:1)TG 52:1ME652972--11.21883.7709
TG (52:2)TG 52:2ME652973--10.84881.7558
TG (52:3)TG 52:3ME652974--10.47879.74
TG (52:4)TG 52:4ME652975--10.08877.7249
TG (52:5)TG 52:5ME652976--9.71875.7092
TG (52:6)TG 52:6ME652977--9.31873.6934
TG (53:3)TG 53:3ME652978--10.67893.7526
TG (53:4)TG 53:4ME652979--10.31891.7393
TG (53:5)TG 53:5ME652980--9.89889.7238
TG (54:1)TG 54:1ME652981--11.57911.8
TG (54:2)TG 54:2ME652982--11.23909.7863
TG (54:3)TG 54:3ME652983--10.89907.7706
TG (54:4)TG 54:4ME652984--10.52905.7551
TG (54:5)TG 54:5ME652985--10.11903.7371
TG (54:6)TG 54:6ME652986--9.72901.7242
TG 54:7;TG(16:0/18:2/20:5)TG 16:0/18:2/20:5ME653003--9.41894.7504
TG (54:8)TG 54:8ME652987--9.07897.6996
TG 55:4TG 55:4ME653004--10.74914.8141
TG (56:1)TG 56:1ME652988--11.83934.8783
TG (56:2)TG 56:2ME652989--11.59937.8143
TG (56:3)TG 56:3ME652990--11.24935.8015
TG (56:4)TG 56:4ME652991--10.91933.7837
TG (56:5)TG 56:5ME652992--10.72931.7807
TG (56:6)TG 56:6ME652993--10.35929.7527
TG (56:7)TG 56:7ME652994--9.98927.7394
TG (56:8)TG 56:8ME652995--9.63925.7263
TG (58:10)TG 58:10ME652996--9.41949.7253
TG (58:2)TG 58:2ME652997--11.84965.8463
TG (58:3)TG 58:3ME652998--11.64958.876
TG (58:4) ATG 58:4ME652999--11.29961.8158
TG 58:5TG 58:5ME653005--10.88954.8365
TG (58:6)TG 58:6ME653000--10.67957.7866
TG (58:8)TG 58:8ME653001--10.21953.7585
TG (58:9)TG 58:9ME653002--9.8951.7399


Analysis: ESI/QTOF negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Cer (d42:2) BCer 42:2;O2ME653006--7.6692.6182
FA (18:1)Octadecenoic acidME653007--3.19281.2484
FA (18:2)Octadecadienoic acidME653008--2.75279.2327
LPC (16:0)LPC 16:0ME653009460602C042301.41540.3306
LPC (18:1)LPC 18:1ME65301053480465-1.56566.3462
LPC (18:2)LPC 18:2ME65301156955896-1.17564.3307
PC (34:2)PC 34:2ME653012--4.98802.5604
PC (35:2)PC 35:2ME653013--5.3816.5761
PC (36:4)PC 36:4ME653014--4.89894.5484
PC (36:4) APC 36:4ME653015--4.89826.5604
PC (38:4)PC 38:4ME653016--5.52854.5922
PC (38:5)PC 38:5ME653017--4.94852.5759
PC (38:6)PC 38:6ME653018--4.73850.5611
PC (40:6)PC 40:6ME653019--5.35878.5924
PC (40:8)PC 40:8ME653020--4.37874.5616
PE (34:2) BPE 34:2ME653021--5.15714.5079
PE 36:4PE 36:4ME65302457339246-5.04738.5063
PE (38:6) BPE 38:6ME653022--4.92762.5147
PE (40:4) APE 40:4ME653023--5.2840.5757
PG 36:1; GPGro(18:0/18:1)PG 18:0/18:1ME653025--5.69766.54
PI (34:2)PI 34:2ME653026--4.4833.5193
PI (36:2)PI 36:2ME653027--4.98861.5486
PI (36:4)PI 36:4ME653028--4.33857.5184
PI (38:4)PI 38:4ME653029--4.89885.5507
PI (38:5)PI 38:5ME653030--4.39883.5353
PI (40:6)PI 40:6ME653031--4.76909.5453
plasmenyl-PE 36:4PE P-36:4ME653033--5.34722.5131
plasmenyl-PE (38:6)PE P-38:6ME653032--5.16746.5112
PS (42:8)PS 42:8ME653034--4.74918.5506
SM (d34:1)SM 34:1;O2ME653035--4.69747.5646
SM (d34:2)SM 34:2;O2ME653036--4.19745.5495
SM (d42:2) BSM 42:2;O2ME65303752931217-6.67857.675


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