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Return to study ST000608 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
PC(0:0/14:0)_A
LPC 0:0/14:0
ME171444
-
-
12.71226016
468.3066435
PC(20:5/0:0)
LPC 20:5/0:0
ME171542
-
-
13.44547344
542.3217381
PC(18:3/0:0)_B
LPC 18:3/0:0
ME171535
-
-
13.63863385
518.3219476
PC(0:0/14:0)_B
LPC 0:0/14:0
ME171445
-
-
13.67146979
468.3066596
PC(16:1/0:0)_A
LPC 16:1/0:0
ME171489
-
-
14.88346224
494.322247
PC(15:0/0:0)_A
LPC 15:0/0:0
ME171459
-
-
15.23304323
482.3222091
PC(0:0/20:4)_A
LPC 0:0/20:4
ME171452
-
-
15.35720755
544.3373346
PC(18:2/0:0)_A
LPC 18:2/0:0
ME171525
-
-
15.49616276
520.3377595
PC(16:1/0:0)_B
LPC 16:1/0:0
ME171490
-
-
15.55850052
494.322176
PC(22:6/0:0)
LPC 22:6/0:0
ME171545
-
-
15.66711823
568.3371135
PC(0:0/20:4)_B
LPC 0:0/20:4
ME171453
-
-
16.15909818
544.3372649
PC(15:0/0:0)_B
LPC 15:0/0:0
ME171460
-
-
16.15995625
482.3221066
PC(18:2/0:0)_B
LPC 18:2/0:0
ME171526
-
-
16.37594583
520.3375957
PE(20:4/0:0)
LPE 20:4/0:0
ME171564
-
-
16.80027422
502.2908895
PE(18:2/0:0)
LPE 18:2/0:0
ME171563
-
-
17.00778229
478.2910209
PC(17:1/0:0)
LPC 17:1/0:0
ME171506
-
-
17.26107109
508.3375887
PC(0:0/16:0)_A
LPC 0:0/16:0
ME171446
-
-
17.60951354
496.3379729
PC(20:3/0:0)
LPC 20:3/0:0
ME171540
-
-
18.04645417
546.3526557
PE(16:0/0:0)_A
LPE 16:0/0:0
ME171547
-
-
18.41291094
454.2909681
PC(0:0/16:0)_B
LPC 0:0/16:0
ME171447
-
-
18.58840339
496.3377684
PC(16:0/5:0(CHO))
-
ME171485
-
-
18.81203439
594.3730323
PC(16:0/9:0(COOH))
-
ME171488
-
-
18.93343981
666.4304246
PE(16:0/0:0)_B
LPE 16:0/0:0
ME171548
-
-
19.23838125
454.2910371
PE(18:1/0:0)_A
LPE 18:1/0:0
ME171560
-
-
19.52263516
480.3064975
PC(0:0/18:1)_A;PC(0:0/18:1)_A
PC 0:0/18:1*
ME171450
-
-
19.61628854
522.353266
PC(22:4/0:0)
LPC 22:4/0:0
ME171544
-
-
19.75190573
572.3684088
PC(18:0/5:0(COOH))
-
ME171516
-
-
19.8315
638.4011185
PC(16:0/7:0(CHO))
-
ME171486
-
-
19.92002533
622.4048815
PE(18:1/0:0)_B
LPE 18:1/0:0
ME171561
-
-
20.23998125
480.3066484
PC(0:0/18:1)_B
LPC 0:0/18:1
ME171451
-
-
20.28963776
522.3533168
PE(22:4/0:0)
LPE 22:4/0:0
ME171565
-
-
20.36566328
530.3217278
PC(17:0/0:0)_A
LPC 17:0/0:0
ME171496
-
-
20.47065313
510.3534238
PC(17:0/0:0)_B
LPC 17:0/0:0
ME171497
-
-
21.00653307
510.3532314
PC(16:0/9:0(CHO))
-
ME171487
-
-
21.95475781
650.4361877
PC(18:0/8:0(COOH))
-
ME171517
-
-
22.26778167
680.4467682
PC(0:0/18:0)_A
LPC 0:0/18:0
ME171448
-
-
22.3362474
524.3686299
PE(18:0/0:0)_A
LPE 18:0/0:0
ME171555
-
-
23.0023625
482.3218212
PC(18:0/9:0(COOH))
-
ME171519
-
-
23.12527704
694.4591517
PC(18:0/9:0(CHO))
-
ME171518
-
-
23.16512176
678.4670793
PC(16:0/11:0(CHO))
-
ME171468
-
-
23.16892236
678.4675324
PC(0:0/18:0)_B
LPC 0:0/18:0
ME171449
-
-
23.24974557
524.3687987
PC(20:1/0:0)_A
LPC 20:1/0:0
ME171538
-
-
23.87013411
550.3842017
PE(18:0/0:0)_B
LPE 18:0/0:0
ME171556
-
-
23.89823437
482.3221175
PC(20:1/0:0)_B
LPC 20:1/0:0
ME171539
-
-
24.78827734
550.3842385
MG(0:0/18:1/0:0)
MG 0:0/18:1/0:0
ME171443
-
-
25.46433411
374.3253944
PC(19:0/0:0)
LPC 19:0/0:0
ME171536
-
-
25.74373516
538.3841848
PC(20:0/0:0)
LPC 20:0/0:0
ME171537
-
-
28.71593542
552.3998791
PE(12:0/12:0)
PE 12:0/12:0
ME171546
-
-
31.46668229
580.3946594
PC(16:0/18:3)_A
PC 16:0/18:3
ME171475
-
-
32.58565215
756.5503735
PC(16:0/18:3)_B
PC 16:0/18:3
ME171476
-
-
35.39181693
756.5502031
PC(22:0/0:0)
LPC 22:0/0:0
ME171543
-
-
36.02354974
580.4310224
PC(16:0/18:3)_C
PC 16:0/18:3
ME171477
-
-
37.14259583
756.5497178
SM(d18:2/14:0)
SM 18:2;O2/14:0
ME171601
-
-
37.69729479
673.524535
PC(18:0/18:3)
PC 18:0/18:3
ME171509
-
-
42.73522249
784.5820792
PC(14:0/20:5)
PC 14:0/20:5
ME171457
-
-
43.67945365
752.5192219
SM(d16:1/16:0);SM(d18:1/14:0)
SM 18:1;O2/14:0
ME171585
-
-
44.4423625
675.540244
SM(d16:1/16:0)
SM 16:1;O2/16:0
ME171584
-
-
44.45806875
675.5402378
PC(14:0/14:0)
PC 14:0/14:0
ME171454
-
-
45.09037943
678.503449
PC(16:1/20:5)
PC 16:1/20:5
ME171494
-
-
45.44842318
778.5342369
SM(d18:2/16:0)
SM 18:2;O2/16:0
ME171602
-
-
45.81278203
701.5558999
PC(16:1/18:3)
PC 16:1/18:3
ME171493
-
-
46.04835495
754.5342431
PC(14:0/22:6)
PC 14:0/22:6
ME171458
-
-
46.93325625
778.5343837
PC(18:2/20:5)
PC 18:2/20:5
ME171531
-
-
47.14896875
804.5489229
PC(14:0/20:4)
PC 14:0/20:4
ME171456
-
-
47.7546974
754.5343537
PS(18:1/20:4)
PS 18:1/20:4
ME171583
-
-
47.78806618
810.5232174
SM(d18:2/18:1)
SM 18:2;O2/18:1
ME171603
-
-
47.90615
727.5713054
PC(16:1/22:6)
PC 16:1/22:6
ME171495
-
-
48.04745729
804.5495112
PC(16:1/16:1);PC(14:0/18:2)
PC 14:0/18:2
ME171491
-
-
48.05922266
730.5346336
PC(20:4/22:6)
PC 20:4/22:6
ME171541
-
-
48.80730677
854.5669262
PC(15:0/16:1)
PC 15:0/16:1
ME171462
-
-
49.26161719
718.5345664
PC(18:2/22:6)
PC 18:2/22:6
ME171533
-
-
49.3840776
830.5650357
PC(15:0/22:6)
PC 15:0/22:6
ME171467
-
-
49.52024896
792.5500451
PC(16:0/20:5)
PC 16:0/20:5
ME171481
-
-
49.75681354
780.5499337
PC(16:0/18:3)_D;PC(16:1/18:2)_A
PC 16:1/18:2
ME171478
-
-
49.85818411
756.5501278
PC(18:2/20:4)
PC 18:2/20:4
ME171530
-
-
49.88345885
806.5653071
SM(d18:1/16:0)
SM 18:1;O2/16:0
ME171588
-
-
50.13126042
703.5716319
PC(15:0/20:4)
PC 15:0/20:4
ME171466
-
-
50.2130099
768.5500108
PC(16:1/18:2)_B;PC(16:0/18:3)_E
PC 16:0/18:3
ME171492
-
-
50.73967448
756.5501273
PC(15:0/18:2)
PC 15:0/18:2
ME171464
-
-
50.74077057
744.5502127
PC(14:0/16:0)
PC 14:0/16:0
ME171455
-
-
50.74775
706.5348635
PS(18:0/22:6)
PS 18:0/22:6
ME171582
-
-
50.76067727
836.5383939
PC(18:2/18:2)
PC 18:2/18:2
ME171527
-
-
50.80651745
782.5657516
PS(18:0/20:4)
PS 18:0/20:4
ME171581
-
-
50.81748333
812.5390796
PE(16:0/20:5)
PE 16:0/20:5
ME171553
-
-
50.83497031
738.5029605
PE(16:0/18:3)
PE 16:0/18:3
ME171551
-
-
50.92158281
714.5033326
PC(15:0/20:3)
PC 15:0/20:3
ME171465
-
-
51.1612375
770.5657721
SM(d18:1/18:1)
SM 18:1;O2/18:1
ME171591
-
-
51.182275
729.5871671
PC(18:2/22:5)
PC 18:2/22:5
ME171532
-
-
51.18859948
832.5806438
PC(16:0/16:1);PC(14:0/18:1)
PC 14:0/18:1
ME171470
-
-
51.48202161
732.5504832
PC(16:0/22:6)
PC 16:0/22:6
ME171484
-
-
51.59106094
806.5653794
PC(17:0/20:5)
PC 17:0/20:5
ME171503
-
-
51.99487891
794.5652778
GalCer(d18:1/16:0)
GalCer 18:1;O2/16:0
ME171441
-
-
52.02413646
700.5687831
PC(18:1/22:6)_A
PC 18:1/22:6
ME171523
-
-
52.09747005
832.5800419
PC(16:0/20:4)
PC 16:0/20:4
ME171480
-
-
52.179725
782.5653839
SM(d18:1/17:0);SM(d19:1/16:0)
SM 19:1;O2/16:0
ME171589
-
-
52.35959141
717.586615
PC(16:0/18:2);PC(16:1/18:1)
PC 16:1/18:1
ME171474
-
-
52.37397839
758.5659025
PC(15:0/16:0)
PC 15:0/16:0
ME171461
-
-
52.41705573
720.5500331
PE(16:0/22:6)
PE 16:0/22:6
ME171554
-
-
52.53857396
764.5188864
PC(18:1/22:6)_B
PC 18:1/22:6
ME171524
-
-
52.69573802
832.580431
PC(16:0/22:5);PC(18:1/20:4)
PC 18:1/20:4
ME171483
-
-
52.78020313
808.5807802
PC(17:0/22:6)
PC 17:0/22:6
ME171505
-
-
52.95989609
820.5804035
PC(18:1/18:2)
PC 18:1/18:2
ME171520
-
-
53.10398385
784.5815873
PE(16:0/20:4)
PE 16:0/20:4
ME171552
-
-
53.18649427
740.5189595
PC(15:0/18:1)
PC 15:0/18:1
ME171463
-
-
53.33539974
746.565878
PE(16:0/18:2)
PE 16:0/18:2
ME171550
-
-
53.35743125
716.5189042
PC(18:1/18:2);PC(16:0/20:3)
PC 16:0/20:3
ME171521
-
-
53.61312135
784.5814829
PC(17:0/20:4)_A
PC 17:0/20:4
ME171501
-
-
53.82971719
796.5809993
PE(18:1/18:2)
PE 18:1/18:2
ME171562
-
-
53.93282526
742.5345535
PC(16:0/20:3)
PC 16:0/20:3
ME171479
-
-
54.0724888
784.5811617
PC(18:1/18:2)_CoE
PC 18:1_18:2
ME171522
-
-
54.0724888
784.5811617
PC(17:0/20:4)_B
PC 17:0/20:4
ME171502
-
-
54.14921953
796.5808961
SM(d18:1/18:0)
SM 18:1;O2/18:0
ME171590
-
-
54.24566745
731.6025832
PC(17:0/18:2)
PC 17:0/18:2
ME171499
-
-
54.32939688
772.5812436
PE(P-16:0/22:6)
PE P-16:0/22:6
ME171570
-
-
54.34960521
748.5239752
PC(16:0/16:0)
PC 16:0/16:0
ME171469
-
-
54.44683802
734.5657684
PC(17:0/22:5)
PC 17:0/22:5
ME171504
-
-
54.47675495
822.5959865
PC(16:0/22:4);PC(18:1/20:3)
PC 18:1/20:3
ME171482
-
-
54.66526693
810.595993
PC(18:2/19:1);PC(17:0/20:3)_A
PC 17:0/20:3
ME171529
-
-
54.88550443
798.596216
PC(16:0/18:1)
PC 16:0/18:1
ME171473
-
-
54.89487656
760.5813542
PE(P-18:1/22:6)
PE P-18:1/22:6
ME171577
-
-
54.9247401
774.538959
PE(P-16:0/20:4)
PE P-16:0/20:4
ME171569
-
-
54.99519167
724.5237467
PC(18:0/22:6)
PC 18:0/22:6
ME171515
-
-
55.16682682
834.5957421
PE(P-16:0/18:2)
PE P-16:0/18:2
ME171567
-
-
55.25220937
700.5238455
PC(17:0/20:3)_B
PC 17:0/20:3
ME171500
-
-
55.28257526
798.5963285
CerH2O(d18:1/16:0)
-
ME171415
-
-
55.4752349
520.5058284
SM(d18:0/18:0)
SM 18:0;O2/18:0
ME171587
-
-
55.48022109
733.6182325
PE(16:0/18:1)
PE 16:0/18:1
ME171549
-
-
55.58835469
718.5342154
PC(18:0/20:4)
PC 18:0/20:4
ME171512
-
-
55.63111458
810.5964134
PC(16:0/17:0)
PC 16:0/17:0
ME171471
-
-
55.64043724
748.5813022
PE(18:0/22:6)
PE 18:0/22:6
ME171559
-
-
55.78466406
792.5496719
PC(18:0/18:2);PC(18:1/18:1)
PC 18:1/18:1
ME171508
-
-
55.8160401
786.597031
PE(P-16:0/20:3)
PE P-16:0/20:3
ME171568
-
-
55.86122865
726.5395489
PC(18:0/22:5)
PC 18:0/22:5
ME171514
-
-
55.98356328
836.6116759
PE(18:0/20:4)
PE 18:0/20:4
ME171558
-
-
56.31402135
768.5501359
PE(18:0/18:2)
PE 18:0/18:2
ME171557
-
-
56.37036042
744.5501771
PC(17:0/18:1)
PC 17:0/18:1
ME171498
-
-
56.57653672
774.5970221
DG(16:1/18:2/0:0)
DG 16:1/18:2/0:0
ME171432
-
-
56.67695521
608.5216894
SM(d18:2/21:0)
SM 18:2;O2/21:0
ME171604
-
-
56.7375776
771.633654
PC(18:0/20:3)
PC 18:0/20:3
ME171511
-
-
56.83105807
812.6121968
DG(18:2/20:4/0:0)
DG 18:2/20:4/0:0
ME171440
-
-
57.07732943
658.5373096
PE(P-18:0/22:6)
PE P-18:0/22:6
ME171576
-
-
57.25067865
776.5549359
PE(P-16:0/18:1)
PE P-16:0/18:1
ME171566
-
-
57.2718612
702.5393844
DG(18:2/0:0/18:2)
DG 18:2/0:0/18:2
ME171439
-
-
57.35328359
634.5369093
PC(18:2/19:0)
PC 18:2/19:0
ME171528
-
-
57.41654427
800.6119094
SM(d18:1/20:0);SM(d16:1/22:0)
SM 16:1;O2/22:0
ME171592
-
-
57.46428021
759.6337513
PC(16:0/18:0)
PC 16:0/18:0
ME171472
-
-
57.47713359
762.5970759
PC(18:0/22:4)
PC 18:0/22:4
ME171513
-
-
57.60242891
838.62708
PE(P-18:0/20:4)
PE P-18:0/20:4
ME171574
-
-
57.74012786
752.5552089
PC(18:0/18:1)
PC 18:0/18:1
ME171507
-
-
57.82787734
788.6128065
SM(d18:2/24:1)
SM 18:2;O2/24:1
ME171607
-
-
57.94526927
811.6647133
PE(P-18:0/18:2)
PE P-18:0/18:2
ME171572
-
-
57.94933177
728.5550808
SM(d18:2/22:0)
SM 18:2;O2/22:0
ME171605
-
-
58.01961354
785.6495571
PE(P-18:0/20:3)
PE P-18:0/20:3
ME171573
-
-
58.47447214
754.571341
PC(18:0/20:2);PC(18:2/20:0)
PC 18:2/20:0
ME171510
-
-
58.55834922
814.6280431
DG(16:0/18:2/0:0)
DG 16:0/18:2/0:0
ME171431
-
-
58.83934531
610.5375633
SM(d17:1/24:1)
SM 17:1;O2/24:1
ME171586
-
-
58.94069036
799.6651006
DG(18:1/20:4/0:0)
DG 18:1/20:4/0:0
ME171437
-
-
58.96383021
660.5529492
SM(d18:1/21:0);SM(d16:1/23:0)
SM 16:1;O2/23:0
ME171593
-
-
59.1322375
773.6496004
DG(18:1/22:5/0:0)
DG 18:1/22:5/0:0
ME171438
-
-
59.28579531
686.5686465
Cer(d18:0/18:0)
Cer 18:0;O2/18:0
ME171410
-
-
59.31130234
568.563467
DG(18:1/18:2/0:0)
DG 18:1/18:2/0:0
ME171435
-
-
59.35837005
636.5530679
SM(d18:2/23:0)
SM 18:2;O2/23:0
ME171606
-
-
59.64693229
799.6648961
PE(P-18:0/22:4)
PE P-18:0/22:4
ME171575
-
-
59.7129763
780.5866365
DG(17:1/18:1/0:0)
DG 17:1/18:1/0:0
ME171433
-
-
59.89118424
624.5538044
PE(P-20:0/22:6)
PE P-20:0/22:6
ME171580
-
-
59.9269371
804.5871298
PE(P-18:0/18:1)
PE P-18:0/18:1
ME171571
-
-
59.95691849
730.5706913
SM(d18:1/24:1)_A
SM 18:1;O2/24:1
ME171597
-
-
60.09648411
813.6803503
SM(d18:1/22:0)
SM 18:1;O2/22:0
ME171594
-
-
60.20529505
787.6651199
PE(P-20:0/20:4)
PE P-20:0/20:4
ME171579
-
-
60.54485495
780.5865183
CerH2O(d18:1/24:1)_A
-
ME171422
-
-
60.7559138
630.6149688
PE(P-20:0/18:2)
PE P-20:0/18:2
ME171578
-
-
60.76773854
756.5863655
CerH2O(d18:1/22:0)_A
-
ME171416
-
-
60.79441771
604.5994453
DG(16:0/18:1/0:0)
DG 16:0/18:1/0:0
ME171430
-
-
60.84572188
612.5530308
SM(d18:1/24:1)_B;SM(d18:2/24:0)
SM 18:2;O2/24:0
ME171598
-
-
60.92061823
813.6804614
DG(18:1/0:0/18:1)
DG 18:1/0:0/18:1
ME171434
-
-
61.19097188
638.5686079
SM(d19:1/24:1)
SM 19:1;O2/24:1
ME171608
-
-
61.21418125
827.6955185
CerH2O(d18:2/22:0)
-
ME171426
-
-
61.58106536
602.5839887
SM(d18:1/23:0)
SM 18:1;O2/23:0
ME171595
-
-
61.6564112
801.6806144
Cer(d18:0/20:0)
Cer 18:0;O2/20:0
ME171411
-
-
61.85335469
596.5943351
CerH2O(d18:1/23:0)_A
-
ME171418
-
-
61.90198385
618.6153055
GalCer(d18:1/24:1)
GalCer 18:1;O2/24:1
ME171442
-
-
62.21661406
810.6776595
CerH2O(d18:2/23:0)
-
ME171427
-
-
62.5647026
616.5994387
SM(d18:1/26:1)_A
SM 18:1;O2/26:1
ME171599
-
-
62.58765729
841.7113056
DG(16:0/18:0/0:0)
DG 16:0/18:0/0:0
ME171429
-
-
62.72681224
614.5684572
SM(d18:1/24:0)
SM 18:1;O2/24:0
ME171596
-
-
62.75232057
815.696127
DG(18:1/20:1/0:0)
DG 18:1/20:1/0:0
ME171436
-
-
63.13873698
666.5996314
Cer(d18:1/24:1)
Cer 18:1;O2/24:1
ME171414
-
-
63.16000417
648.6255995
CerH2O(d18:1/24:1)_B
-
ME171423
-
-
63.16948958
630.6151435
CerH2O(d18:1/24:0)
-
ME171420
-
-
63.19087891
632.6310017
CerH2O(d18:1/22:0)_B
-
ME171417
-
-
63.19358776
604.599647
Cer(d18:1/22:0)
Cer 18:1;O2/22:0
ME171413
-
-
63.19463854
622.6101742
SM(d18:1/26:1)_B
SM 18:1;O2/26:1
ME171600
-
-
63.27247865
841.7111904
Cer(d18:0/22:0)
Cer 18:0;O2/22:0
ME171412
-
-
63.81362526
624.6259302
CerH2O(d18:1/23:0)_B
-
ME171419
-
-
64.11342578
618.6152587
CerH2O(d18:1/26:1)
-
ME171425
-
-
64.88363203
658.646244
CerH2O(d18:1/24:0);CerH2O(d19:1/23:0)
-
ME171421
-
-
64.94784505
632.6309877
CerH2O(d19:1/24:0)
-
ME171428
-
-
65.49876797
646.6463938
CerH2O(d18:1/26:0);CerH2O(d20:1/24:0)
-
ME171424
-
-
66.37795339
660.6618357
TG(12:0/12:0/16:0);TG(12:0/14:0/14:0)
TG 12:0/14:0/14:0
ME171609
-
-
66.60558255
712.6433693
TG(42:1)
TG 42:1
ME171649
-
-
66.84609427
738.6571924
TG(44:2)
TG 44:2
ME171651
-
-
66.99911328
764.6744834
TG(14:1/18:2/18:3)
TG 14:1/18:2/18:3
ME171613
-
-
67.00092062
840.7042735
TG(46:3)
TG 46:3
ME171654
-
-
67.23061328
790.6878262
TG(52:7)
TG 52:7
ME171664
-
-
67.34790208
866.7195264
TG(18:2/18:3/18:3)
TG 18:2/18:3/18:3
ME171646
-
-
67.39662995
892.7346323
TG(18:2/18:3/22:6)
TG 18:2/18:3/22:6
ME171647
-
-
67.46184302
942.7493894
TG(15:1/18:2/18:3)
TG 15:1/18:2/18:3
ME171619
-
-
67.52052333
854.7198393
TG(12:0/14:0/16:0)
TG 12:0/14:0/16:0
ME171610
-
-
67.82500521
740.6727399
TG(16:1/18:2/18:3)
TG 16:1/18:2/18:3
ME171630
-
-
67.9127099
868.7341997
TG(18:2/20:4/22:6)
TG 18:2/20:4/22:6
ME171648
-
-
67.91365524
968.7644421
TG(44:1)
TG 44:1
ME171650
-
-
67.91632578
766.6887337
TG(54:7)
TG 54:7
ME171669
-
-
68.0564237
894.7497954
TG(46:2)
TG 46:2
ME171653
-
-
68.07252604
792.703458
TG(15:0/18:2/18:3)
TG 15:0/18:2/18:3
ME171617
-
-
68.21200599
856.7346147
TG(15:0/18:2/22:6)
TG 15:0/18:2/22:6
ME171618
-
-
68.23905339
906.749912
TG(17:1/18:2/18:3)
TG 17:1/18:2/18:3
ME171634
-
-
68.30815807
882.7501053
TG(50:4)
TG 50:4
ME171660
-
-
68.38826198
844.7343227
TG(52:5)
TG 52:5
ME171663
-
-
68.6078638
870.7497838
TG(18:2/18:2/18:2);TG(18:1/18:2/18:3)
TG 18:1/18:2/18:3
ME171645
-
-
68.72025964
896.7649921
TG(12:0/16:0/16:0);TG(14:0/14:0/16:0)
TG 14:0/14:0/16:0
ME171611
-
-
68.81715703
768.7034024
TG(15:0/18:2/18:2);TG(16:1/17:1/18:2)
TG 16:1/17:1/18:2
ME171616
-
-
68.84580443
858.7497233
TG(46:1)
TG 46:1
ME171652
-
-
68.88122109
794.7189679
TG(17:1/18:2/18:2)
TG 17:1/18:2/18:2
ME171633
-
-
68.95288151
884.7649641
TG(48:2)
TG 48:2
ME171656
-
-
68.98858333
820.7345947
TG(50:3)
TG 50:3
ME171659
-
-
69.10561693
846.7500838
TG(56:7)
TG 56:7
ME171672
-
-
69.17796797
922.7800502
TG(52:4)
TG 52:4
ME171662
-
-
69.25293542
872.7648017
TG(18:1/18:2/18:2)
TG 18:1/18:2/18:2
ME171644
-
-
69.36393333
898.7804818
TG(49:2)
TG 49:2
ME171658
-
-
69.42548021
834.749916
TG(15:0/18:1/18:2);TG(16:1/17:1/18:1)
TG 16:1/17:1/18:1
ME171615
-
-
69.53437917
860.7653878
TG(18:1/18:1/22:6);TG(18:1/18:2/22:5)
TG 18:1/18:2/22:5
ME171643
-
-
69.54722604
948.7952471
TG(17:1/18:1/18:2);TG(17:0/18:2/18:2)
TG 17:0/18:2/18:2
ME171632
-
-
69.62839948
886.7805143
TG(14:0/16:0/18:1);TG(16:0/16:0/16:1)
TG 16:0/16:0/16:1
ME171612
-
-
69.71825833
822.7499284
TG(56:6)
TG 56:6
ME171671
-
-
69.77170573
924.7952128
TG(16:0/16:0/18:2);TG(16:0/16:1/18:1)
TG 16:0/16:1/18:1
ME171623
-
-
69.79338802
848.7654092
TG(18:1/18:1/22:5)
TG 18:1/18:1/22:5
ME171642
-
-
69.86772813
950.8107624
TG(16:1/18:1/18:1);TG(16:0/18:1/18:2)
TG 16:0/18:1/18:2
ME171629
-
-
69.92784609
874.7809715
TG(18:1/18:1/18:2);TG(18:0/18:2/18:2)
TG 18:0/18:2/18:2
ME171638
-
-
70.0557974
900.795952
TG(47:0)
TG 47:0
ME171655
-
-
70.1018651
810.7498434
TG(15:0/16:0/18:1)
TG 15:0/16:0/18:1
ME171614
-
-
70.14445026
836.7652518
TG(51:2)
TG 51:2
ME171661
-
-
70.20634714
862.7811762
TG(18:0/18:1/20:4)
TG 18:0/18:1/20:4
ME171637
-
-
70.26767057
926.8107769
TG(53:3)
TG 53:3
ME171666
-
-
70.29611667
888.7962273
TG(16:0/16:0/16:0)
TG 16:0/16:0/16:0
ME171620
-
-
70.36238229
824.7651637
TG(49:0)
TG 49:0
ME171657
-
-
70.44666979
838.7794428
TG(16:0/16:0/18:1)
TG 16:0/16:0/18:1
ME171622
-
-
70.46253203
850.7813653
TG(16:0/18:1/18:1)
TG 16:0/18:1/18:1
ME171627
-
-
70.54641693
876.7967253
TG(18:0/18:1/18:2);TG(18:1/18:1/18:1)
TG 18:1/18:1/18:1
ME171636
-
-
70.67487786
902.8117472
TG(16:0/17:0/18:1)
TG 16:0/17:0/18:1
ME171624
-
-
70.86479792
864.7966727
TG(53:2)
TG 53:2
ME171665
-
-
70.91486432
890.8119021
TG(16:0/16:0/18:0)
TG 16:0/16:0/18:0
ME171621
-
-
71.12432943
852.7968654
TG(16:0/18:0/18:1)
TG 16:0/18:0/18:1
ME171626
-
-
71.21809297
878.8132655
TG(54:2)
TG 54:2
ME171668
-
-
71.26251589
904.8276539
TG(18:1/18:1/20:1)
TG 18:1/18:1/20:1
ME171639
-
-
71.29937917
930.8423354
TG(17:0/18:0/18:1)
TG 17:0/18:0/18:1
ME171631
-
-
71.47908542
892.8273738
TG(16:0/18:0/18:0)
TG 16:0/18:0/18:0
ME171625
-
-
71.78266927
880.8276975
TG(18:0/18:0/18:1)
TG 18:0/18:0/18:1
ME171635
-
-
71.81939505
906.8433461
TG(56:2)
TG 56:2
ME171670
-
-
71.87302396
932.8585931
TG(18:1/18:1/22:1)
TG 18:1/18:1/22:1
ME171641
-
-
71.93130885
958.8740487
TG(54:0)
TG 54:0
ME171667
-
-
72.43613516
908.8584311
TG(16:0/18:1/22:0)
TG 16:0/18:1/22:0
ME171628
-
-
72.44346016
934.8739009
TG(18:1/18:1/22:0)
TG 18:1/18:1/22:0
ME171640
-
-
72.48746563
960.8889902
PC(18:3/0:0)_A
LPC 18:3/0:0
ME171534
-
-
8.126589091
518.3228743
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
PE(20:4/0:0)
LPE 20:4/0:0
ME171710
-
-
16.76009531
500.2756216
PE(18:2/0:0)
LPE 18:2/0:0
ME171707
-
-
17.00432031
476.2757801
PE(20:3/0:0)
LPE 20:3/0:0
ME171709
-
-
18.66577135
502.2909022
PE(16:0/0:0)
LPE 16:0/0:0
ME171689
-
-
19.26397005
452.2757268
PE(18:1/0:0)
LPE 18:1/0:0
ME171705
-
-
20.26647188
478.2909935
PE(22:4/0:0)
LPE 22:4/0:0
ME171711
-
-
20.36130521
528.306329
PE(18:0/0:0)
LPE 18:0/0:0
ME171699
-
-
23.93687578
480.3068269
PG(14:0/14:0)
PG 14:0/14:0
ME171726
-
-
36.19692734
665.4362327
PI(16:0/16:1)
PI 16:0/16:1
ME171728
-
-
43.23103229
807.4979177
PI(16:0/22:6)
PI 16:0/22:6
ME171733
-
-
43.82610677
881.5134924
PI(16:0/20:4)
PI 16:0/20:4
ME171732
-
-
44.97520599
857.5130384
PI(16:0/18:2)
PI 16:0/18:2
ME171730
-
-
45.13122917
833.5135083
PI(16:1/18:1)
PI 16:1/18:1
ME171734
-
-
45.13122917
833.513385
PI(18:1/18:2)_A
PI 18:1/18:2
ME171743
-
-
45.53549766
859.5244989
PI(18:1/20:4)
PI 18:1/20:4
ME171744
-
-
46.76328151
883.5286193
PI(16:0/20:3);PI(18:1/18:2)_B
PI 18:1/18:2
ME171731
-
-
46.83129167
859.5289549
PI(17:0/20:4)
PI 17:0/20:4
ME171736
-
-
47.80506979
871.5294901
PI(16:0/16:0)
PI 16:0/16:0
ME171727
-
-
47.89977448
809.5128522
PI(17:0/18:2)
PI 17:0/18:2
ME171735
-
-
47.92373516
847.5285306
PS(18:1/20:4)
PS 18:1/20:4
ME171745
-
-
48.29918088
808.5085378
PI(16:0/18:1)
PI 16:0/18:1
ME171729
-
-
48.81504505
835.5289837
PI(18:0/22:6)
PI 18:0/22:6
ME171742
-
-
49.31249922
909.5440527
PI(18:0/18:2)_A
PI 18:0/18:2
ME171738
-
-
49.80402083
861.544652
PI(18:0/20:4)
PI 18:0/20:4
ME171741
-
-
49.95090185
885.5440965
PE(16:0/18:0)
PE 16:0/18:0
ME171691
-
-
50.63508857
718.5352426
PI(18:0/18:2)_B
PI 18:0/18:2
ME171739
-
-
50.67008672
861.5446477
PE(16:0/20:5)
PE 16:0/20:5
ME171696
-
-
50.68984375
736.4884086
PE(16:0/18:3);PE(16:1/18:2)
PE 16:1/18:2
ME171694
-
-
50.78309036
712.4883369
PE(18:2/20:4)
PE 18:2/20:4
ME171708
-
-
50.80150755
762.5036627
PI(18:0/20:3);PI(18:0/20:3)
PI 18:0/20:3
ME171740
-
-
51.55413646
887.5597088
GalCer(d18:1/16:0)
GalCer 18:1;O2/16:0
ME171685
-
-
51.90017682
698.5534249
PE(16:0/16:1)
PE 16:0/16:1
ME171690
-
-
52.23883255
688.4881418
PE(16:0/22:6)
PE 16:0/22:6
ME171698
-
-
52.34099453
762.5033264
PI(18:0/18:1)
PI 18:0/18:1
ME171737
-
-
52.53996224
863.5597024
Cer(d18:2/16:0)
Cer 18:2;O2/16:0
ME171683
-
-
52.57842708
534.4860508
PE(P-16:0/20:5)
PE P-16:0/20:5
ME171714
-
-
52.75565026
720.4931283
PE(16:0/20:4)
PE 16:0/20:4
ME171695
-
-
53.02680495
738.5036725
PE(16:0/18:2)
PE 16:0/18:2
ME171693
-
-
53.23766068
714.5038249
PE(18:1/18:2)
PE 18:1/18:2
ME171706
-
-
53.8011388
740.519464
PE(P-16:0/22:6)
PE P-16:0/22:6
ME171715
-
-
54.19300859
746.5087134
PE(P-18:1/22:6)
PE P-18:1/22:6
ME171722
-
-
54.67669063
772.5241961
PE(P-16:0/20:4)
PE P-16:0/20:4
ME171713
-
-
54.84616745
722.5089005
PE(P-16:0/18:2)
PE P-16:0/18:2
ME171712
-
-
55.11740286
698.5089617
PE(P-18:1/20:4)
PE P-18:1/20:4
ME171721
-
-
55.2176763
748.5242472
PE(16:0/22:4)
PE 16:0/22:4
ME171697
-
-
55.29343099
766.534987
Cer(d18:1/16:0)
Cer 18:1;O2/16:0
ME171674
-
-
55.33767604
536.5017135
PE(16:0/18:1)
PE 16:0/18:1
ME171692
-
-
55.51005469
716.5194276
PE(18:0/22:6)
PE 18:0/22:6
ME171704
-
-
55.62458854
790.5346321
PE(18:0/20:4)
PE 18:0/20:4
ME171703
-
-
56.18081198
766.5346774
PE(18:0/18:2);PE(18:1/18:1)
PE 18:1/18:1
ME171701
-
-
56.22852005
742.53509
PE(P-18:0/22:6)
PE P-18:0/22:6
ME171720
-
-
57.1216013
774.5397305
PE(18:0/20:3)
PE 18:0/20:3
ME171702
-
-
57.15496016
768.5508571
PE(P-18:0/20:4)
PE P-18:0/20:4
ME171718
-
-
57.62129375
750.5399343
PE(P-18:0/18:2)
PE P-18:0/18:2
ME171717
-
-
57.85841615
726.5401783
Cer(d18:1/18:0);Cer(d16:1/20:0)
Cer 18:1;O2/18:0
ME171675
-
-
58.12623073
564.5327465
PE(18:0/18:1)
PE 18:0/18:1
ME171700
-
-
58.19935729
744.550809
PE(P-18:0/22:4)
PE P-18:0/22:4
ME171719
-
-
59.45681016
778.5717363
PE(P-20:0/22:6)
PE P-20:0/22:6
ME171725
-
-
59.84111371
802.5706122
PE(P-18:0/18:1)
PE P-18:0/18:1
ME171716
-
-
59.90695339
728.5556383
PE(P-20:0/20:4)
PE P-20:0/20:4
ME171724
-
-
60.40392552
778.571275
GalCer(d18:1/24:1)
GalCer 18:1;O2/24:1
ME171688
-
-
60.59012734
808.6622494
PE(P-20:0/18:2)
PE P-20:0/18:2
ME171723
-
-
60.63156823
754.5703024
GalCer(d18:1/22:0)
GalCer 18:1;O2/22:0
ME171686
-
-
60.65305391
782.6469119
Cer(d18:1/20:0)
Cer 18:1;O2/20:0
ME171676
-
-
60.95336589
592.5643515
Cer(d18:2/22:0)
Cer 18:2;O2/22:0
ME171684
-
-
61.39794557
618.5795088
Cer(d16:1/23:0)
Cer 16:1;O2/23:0
ME171673
-
-
62.16888177
606.5796208
GalCer(d18:1/24:0)
GalCer 18:1;O2/24:0
ME171687
-
-
62.75729479
810.6779028
Cer(d18:1/24:1)
Cer 18:1;O2/24:1
ME171680
-
-
63.0115125
646.6108418
Cer(d18:1/22:0)
Cer 18:1;O2/22:0
ME171677
-
-
63.0458487
620.5951895
Cer(d18:1/23:0)
Cer 18:1;O2/23:0
ME171678
-
-
63.97875182
634.610806
Cer(d18:1/26:1)
Cer 18:1;O2/26:1
ME171682
-
-
64.70784349
674.641942
Cer(d18:1/24:0)
Cer 18:1;O2/24:0
ME171679
-
-
64.80926016
648.6265712
Cer(d18:1/26:0)
Cer 18:1;O2/26:0
ME171681
-
-
66.24534349
676.657507
Analysis: GC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-monopalmitin
MG 16:0/0:0/0:0
ME171746
14900
-
-
-
2-hydroxybutyric acid
2-Hydroxybutyric acid
ME171747
11266
-
-
-
2-ketoisocaproic acid
Ketoleucine
ME171748
70
-
-
-
3,4-dihydroxybutyric acid
3,4-Dihydroxybutyric acid
ME171749
150929
-
-
-
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME171750
441
-
-
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME171751
724
-
-
-
4-hydroxy-L-proline
cis-4-Hydroxyproline
ME171752
69248
-
-
-
5-hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME171753
144
-
-
-
7β-hydroxycholesterol
7beta-Hydroxycholesterol
ME171754
473141
-
-
-
acetylsalicylic acid (aspirin)
Aspirin
ME171755
2244
-
-
-
adenosine monophosphate
AMP
ME171756
6083
-
-
-
allantoin
Allantoin
ME171757
204
-
-
-
alloxanoic acid
Alloxanoic acid
ME171758
94146
-
-
-
alpha ketoglutaric acid
2-Oxoglutaric acid
ME171759
164533
-
-
-
alpha tocopherol
alpha-Tocopherol
ME171760
14985
-
-
-
aminomalonic acid
Aminomalonic acid
ME171761
100714
-
-
-
arachidic acid
Arachidic acid
ME171762
10467
-
-
-
arachidonic acid
Arachidonic acid
ME171763
444899
-
-
-
beta-tocopherol
beta-tocopherol
ME171764
6857447
-
-
-
biphosphoglyceric acid
-
ME171765
-
-
-
-
biuret
Biuret
ME171766
7913
-
-
-
capric acid
Capric acid
ME171767
2969
-
-
-
carbonate ion
Carbonic acid
ME171768
769
-
-
-
cholesterol
Cholesterol
ME171769
11025495
-
-
-
citric acid
Citric acid
ME171770
311
-
-
-
creatinine
Creatinine
ME171771
588
-
-
-
D-glucose
Glucose
ME171772
5793
-
-
-
DL-isoleucine
Isoleucine
ME171773
791
-
-
-
D-mannitol
Mannitol
ME171774
6251
-
-
-
D-mannose
Mannose
ME171775
18950
-
-
-
docosanol
Behenyl alcohol
ME171776
12620
-
-
-
dodecanol
Dodecanol
ME171777
8193
-
-
-
D-ribose
Ribose
ME171778
5779
-
-
-
fructose
Fructose
ME171779
439709
-
-
-
fumaric acid
Fumaric acid
ME171780
444972
-
-
-
galactonic acid
Galactonic acid
ME171781
128869
-
-
-
galacturonic acid
Galacturonic acid
ME171782
84740
-
-
-
glyceric acid
Glyceric acid
ME171783
439194
-
-
-
glycerol
Glycerol
ME171784
753
-
-
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME171785
439162
-
-
-
glycine
Glycine
ME171786
750
-
-
-
glycolic acid
Glycolic acid
ME171787
757
-
-
-
heptadecanoic acid
Margaric acid
ME171788
10465
-
-
-
hexanoic acid
Caproic acid
ME171789
8892
-
-
-
hypoxanthine
Hypoxanthine
ME171790
790
-
-
-
iminodiacetic acid
Iminodiacetate
ME171791
8897
-
-
-
inosine
Inosine
ME171792
6021
-
-
-
inositol (not specified)
Myo-inositol
ME171793
892
-
-
-
L-alanine
Alanine
ME171795
5950
-
-
-
lauric acid
Lauric acid
ME171796
3893
-
-
-
L-cysteine
Cysteine
ME171797
5862
-
-
-
L-cystine
Cystine
ME171798
67678
-
-
-
L-glutamic acid
Glutamic acid
ME171799
33032
-
-
-
L-glutamine
Glutamine
ME171800
5961
-
-
-
linoleic acid
Linoleic acid
ME171801
5280450
-
-
-
L-(+) lactic acid
Lactic acid
ME171794
107689
-
-
-
L-leucine
Leucine
ME171802
6106
-
-
-
L-methionine
Methionine
ME171803
6137
-
-
-
L-ornithine
Ornithine
ME171804
6262
-
-
-
L-phenylalanine
Phenylalanine
ME171805
6140
-
-
-
L-proline
Proline
ME171806
145742
-
-
-
L-serine
Serine
ME171807
5951
-
-
-
L-threonic acid
Threonic acid
ME171808
5460407
-
-
-
L-threonine
Threonine
ME171809
6288
-
-
-
L-tryptophan
Tryptophan
ME171810
6305
-
-
-
L-tyrosine
Tyrosine
ME171811
6057
-
-
-
L-valine
Valine
ME171812
6287
-
-
-
mesoxalic acid
Mesoxalic acid
ME171813
10132
-
-
-
methyl phosphate
Methanolphosphate
ME171814
13130
-
-
-
myristic acid
Myristic acid
ME171815
11005
-
-
-
Naproxen
Naproxen
ME171816
156391
-
-
-
oleic acid
Oleic acid
ME171817
445639
-
-
-
oxypurinol
Oxypurinol
ME171818
4644
-
-
-
palmitic acid
Palmitic acid
ME171819
985
-
-
-
palmitoleic acid
Palmitoleic acid
ME171820
445638
-
-
-
phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME171821
1005
-
-
-
phosphoric acid
Phosphoric acid
ME171822
1004
-
-
-
pipecolic acid
Pipecolic acid
ME171823
849
-
-
-
pyrophosphate
Pyrophosphate
ME171824
644102
-
-
-
pyruvic acid
Pyruvic acid
ME171825
1060
-
-
-
quinic acid
Quinic acid
ME171826
-
-
-
-
scyllo-inositol
Myo-inositol
ME171827
892
-
-
-
stearic acid
Stearic acid
ME171828
5281
-
-
-
urea
Urea
ME171829
1176
-
-
-
uric acid
Uric acid
ME171830
1175
-
-
-
xylitol
Xylitol
ME171831
6912
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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