Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST003114 main page
Analysis: None (Direct infusion) POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
PA 30:2
PA 30:2
ME812436
-
C00416
-
634.4
PA 30:1
PA 30:1
ME812435
-
C00416
-
636.4
PA 32:3
PA 32:3
ME812440
-
C00416
-
660.4
PA 32:2
PA 32:2
ME812439
-
C00416
-
662.4
PA 32:1
PA 32:1
ME812438
-
C00416
-
664.4
PA 32:0
PA 32:0
ME812437
-
C00416
-
666.4
PE 32:3
PE 32:3
ME812320
-
C00350
-
686.4
PA 34:3
PA 34:3
ME812443
-
C00416
-
688.4
PE 32:2
PE 32:2
ME812319
-
C00350
-
688.4
PA 34:2
PA 34:2
ME812442
-
C00416
-
690.4
PE 32:1
PE 32:1
ME812318
-
C00350
-
690.4
PA 34:1
PA 34:1
ME812441
-
C00416
-
692.4
PE 32:0
PE 32:0
ME812317
-
C00350
-
692.4
PE O-34:3/P-34:2
-
ME812323
-
C04475/C04756
-
700.4
PE O-34:2/P-34:1
-
ME812322
-
C04475/C04756
-
702.4
PE O-34:1/P-34:0
-
ME812321
-
C04475/C04756
-
704.4
PC 30:0
PC 30:0
ME812277
-
C00157
-
706.5
PA 36:6
PA 36:6
ME812448
-
C00416
-
710.4
PE 34:4
PE 34:4
ME812327
-
C00350
-
712.5
PE 34:3
PE 34:3
ME812326
-
C00350
-
714.5
PA 36:3
PA 36:3
ME812447
-
C00416
-
716.4
PC O-32:2/P-32:1
-
ME812280
-
C05212/C00958
-
716.5
PE 34:2
PE 34:2
ME812325
-
C00350
-
716.5
PA 36:2
PA 36:2
ME812446
-
C00416
-
718.4
PC O-32:1/P-32:0
-
ME812279
-
C05212/C00958
-
718.5
PE 34:1
PE 34:1
ME812324
-
C00350
-
718.5
PA 36:1
PA 36:1
ME812445
-
C00416
-
720.5
PC O-32:0
PC O-32:0
ME812278
-
C00157
-
720.5
PA 36:0
PA 36:0
ME812444
-
C00416
-
722.5
PE O-36:6/P-36:5
-
ME812333
-
C04475/C04756
-
722.5
PE O-36:5/P-36:4
-
ME812332
-
C04475/C04756
-
724.5
PE O-36:4/P-36:3
-
ME812331
-
C04475/C04756
-
726.5
PA 37:4 (IS)
PA 37:4
ME812434
-
C00416
-
728.5
PC 32:3
PC 32:3
ME812284
-
C00157
-
728.5
PE O-36:3/P-36:2
-
ME812330
-
C04475/C04756
-
728.5
PC 32:2
PC 32:2
ME812283
-
C00157
-
730.5
PE O-36:2/P-36:1
-
ME812329
-
C04475/C04756
-
730.5
PS 32:3
PS 32:3
ME812388
-
C02737
-
730.5
PC 32:1
PC 32:1
ME812282
-
C00157
-
732.5
PE O-36:1/P-36:0
-
ME812328
-
C04475/C04756
-
732.5
PS 32:2
PS 32:2
ME812387
-
C02737
-
732.5
PG 32:3
PG 32:3
ME812418
-
C00344
-
734.4
PC 32:0
PC 32:0
ME812281
-
C00157
-
734.5
PG 32:2
PG 32:2
ME812417
-
C00344
-
736.4
PE 36:6
PE 36:6
ME812339
-
C00350
-
736.5
PS 32:0
PS 32:0
ME812386
-
C02737
-
736.5
PG 32:1
PG 32:1
ME812416
-
C00344
-
738.4
PE 36:5
PE 36:5
ME812338
-
C00350
-
738.5
PG 32:0
PG 32:0
ME812415
-
C00344
-
740.4
PE 36:4
PE 36:4
ME812337
-
C00350
-
740.5
PA 38:4
PA 38:4
ME812451
-
C00416
-
742.5
PE 36:3
PE 36:3
ME812336
-
C00350
-
742.5
PA 38:3
PA 38:3
ME812450
-
C00416
-
744.5
PC O-34:2/P-34:1
-
ME812287
-
C05212/C00958
-
744.5
PE 36:2
PE 36:2
ME812335
-
C00350
-
744.5
PA 38:2
PA 38:2
ME812449
-
C00416
-
746.5
PC O-34:1/P-34:0
-
ME812286
-
C05212/C00958
-
746.5
PE 36:1
PE 36:1
ME812334
-
C00350
-
746.5
PC O-34:0
PC O-34:0
ME812285
-
C00157
-
748.5
PE O-38:6/P-38:5
-
ME812341
-
C04475/C04756
-
750.5
PE O-38:5/P-38:4
-
ME812340
-
C04475/C04756
-
752.5
PE 37:4 (IS)
PE 37:4
ME812316
-
C00350
-
754.4
PC 34:4
PC 34:4
ME812291
-
C00157
-
754.5
PC 34:3
PC 34:3
ME812290
-
C00157
-
756.5
PS 34:4
PS 34:4
ME812392
-
C02737
-
756.5
PC 34:2
PC 34:2
ME812289
-
C00157
-
758.5
PS 34:3
PS 34:3
ME812391
-
C02737
-
758.5
PA 40:9
PA 40:9
ME812453
-
C00416
-
760.5
PC 34:1
PC 34:1
ME812288
-
C00157
-
760.5
PS 34:2
PS 34:2
ME812390
-
C02737
-
760.5
PG 34:3
PG 34:3
ME812422
-
C00344
-
762.4
PA 40:8
PA 40:8
ME812452
-
C00416
-
762.5
PE 38:7
PE 38:7
ME812349
-
C00350
-
762.5
PS 34:1
PS 34:1
ME812389
-
C02737
-
762.5
PG 34:2
PG 34:2
ME812421
-
C00344
-
764.4
PE 38:6
PE 38:6
ME812348
-
C00350
-
764.5
PG 34:1
PG 34:1
ME812420
-
C00344
-
766.4
PE 38:5
PE 38:5
ME812347
-
C00350
-
766.5
PG 34:0
PG 34:0
ME812419
-
C00344
-
768.4
PC O-36:4/P-36:3
-
ME812295
-
C05212/C00958
-
768.5
PE 38:4
PE 38:4
ME812346
-
C00350
-
768.5
PC O-36:3/P-36:2
-
ME812294
-
C05212/C00958
-
770.5
PE 38:3
PE 38:3
ME812345
-
C00350
-
770.5
PC O-36:2/P-36:1
-
ME812293
-
C05212/C00958
-
772.5
PE 38:2
PE 38:2
ME812344
-
C00350
-
772.5
PC O-36:1/P-36:0
-
ME812292
-
C05212/C00958
-
774.5
PE 38:1
PE 38:1
ME812343
-
C00350
-
774.5
PE 38:0
PE 38:0
ME812342
-
C00350
-
776.5
PC 36:6
PC 36:6
ME812302
-
C00157
-
778.5
PE O-40:6/P-40:5
-
ME812353
-
C04475/C04756
-
778.5
PC 36:5
PC 36:5
ME812301
-
C00157
-
780.5
PE O-40:5/P-40:4
-
ME812352
-
C04475/C04756
-
780.5
PS 36:6
PS 36:6
ME812398
-
C02737
-
780.5
PC 36:4
PC 36:4
ME812300
-
C00157
-
782.5
PE O-40:4/P-40:3
-
ME812351
-
C04475/C04756
-
782.5
PS 36:5
PS 36:5
ME812397
-
C02737
-
782.5
PC 36:3
PC 36:3
ME812299
-
C00157
-
784.5
PE O-40:3/P-40:2
-
ME812350
-
C04475/C04756
-
784.5
PS 36:4
PS 36:4
ME812396
-
C02737
-
784.5
PC 36:2
PC 36:2
ME812298
-
C00157
-
786.5
PE 40:9
PE 40:9
ME812360
-
C00350
-
786.5
PS 36:3
PS 36:3
ME812395
-
C02737
-
786.5
PG 36:4
PG 36:4
ME812427
-
C00344
-
788.4
PC 36:1
PC 36:1
ME812297
-
C00157
-
788.5
PE 40:8
PE 40:8
ME812359
-
C00350
-
788.5
PS 36:2
PS 36:2
ME812394
-
C02737
-
788.5
PG 36:3
PG 36:3
ME812426
-
C00344
-
790.4
PC 36:0
PC 36:0
ME812296
-
C00157
-
790.5
PE 40:7
PE 40:7
ME812358
-
C00350
-
790.5
PS 36:1
PS 36:1
ME812393
-
C02737
-
790.5
PG 36:2
PG 36:2
ME812425
-
C00344
-
792.4
PE 40:6
PE 40:6
ME812357
-
C00350
-
792.5
PE 40:5
PE 40:5
ME812356
-
C00350
-
794.5
PG 36:1
PG 36:1
ME812424
-
C00344
-
794.5
PC 37:4 (IS)
PC 37:4
ME812276
-
C00157
-
796.5
PE 40:4
PE 40:4
ME812355
-
C00350
-
796.5
PG 36:0
PG 36:0
ME812423
-
C00344
-
796.5
PE 40:3
PE 40:3
ME812354
-
C00350
-
798.5
PS 37:4 (IS)
PS 37:4
ME812385
-
C02737
-
798.5
PG 37:4 (IS)
PG 37:4
ME812414
-
C00344
-
802.5
PC 38:7
PC 38:7
ME812308
-
C00157
-
804.5
PC 38:6
PC 38:6
ME812307
-
C00157
-
806.5
PS 38:7
PS 38:7
ME812404
-
C02737
-
806.5
PC 38:5
PC 38:5
ME812306
-
C00157
-
808.5
PC 38:4
PC 38:4
ME812305
-
C00157
-
810.5
PS 38:5
PS 38:5
ME812403
-
C02737
-
810.5
PC 38:3
PC 38:3
ME812304
-
C00157
-
812.5
PS 38:4
PS 38:4
ME812402
-
C02737
-
812.5
PC 38:2
PC 38:2
ME812303
-
C00157
-
814.5
PG 38:5
PG 38:5
ME812431
-
C00344
-
814.5
PS 38:3
PS 38:3
ME812401
-
C02737
-
814.5
PG 38:4
PG 38:4
ME812430
-
C00344
-
816.5
PS 38:2
PS 38:2
ME812400
-
C02737
-
816.5
PG 38:3
PG 38:3
ME812429
-
C00344
-
818.5
PS 38:1
PS 38:1
ME812399
-
C02737
-
818.5
PG 38:2
PG 38:2
ME812428
-
C00344
-
820.5
PI 32:3
PI 32:3
ME812365
-
C01194
-
822.5
PI 32:2
PI 32:2
ME812364
-
C01194
-
824.5
PI 32:1
PI 32:1
ME812363
-
C01194
-
826.5
PC 40:9
PC 40:9
ME812315
-
C00157
-
828.5
PI 32:0
PI 32:0
ME812362
-
C01194
-
828.5
PC 40:8
PC 40:8
ME812314
-
C00157
-
830.5
PS 40:9
PS 40:9
ME812413
-
C02737
-
830.5
PC 40:7
PC 40:7
ME812313
-
C00157
-
832.5
PS 40:8
PS 40:8
ME812412
-
C02737
-
832.5
PC 40:6
PC 40:6
ME812312
-
C00157
-
834.5
PG 40:9
PG 40:9
ME812433
-
C00344
-
834.5
PS 40:7
PS 40:7
ME812411
-
C02737
-
834.5
PC 40:5
PC 40:5
ME812311
-
C00157
-
836.5
PS 40:6
PS 40:6
ME812410
-
C02737
-
836.5
PC 40:4
PC 40:4
ME812310
-
C00157
-
838.5
PS 40:5
PS 40:5
ME812409
-
C02737
-
838.5
PC 40:3
PC 40:3
ME812309
-
C00157
-
840.5
PS 40:4
PS 40:4
ME812408
-
C02737
-
840.5
PS 40:3
PS 40:3
ME812407
-
C02737
-
842.5
PS 40:2
PS 40:2
ME812406
-
C02737
-
844.5
PG 40:3
PG 40:3
ME812432
-
C00344
-
846.5
PS 40:1
PS 40:1
ME812405
-
C02737
-
846.5
PI 34:4
PI 34:4
ME812369
-
C01194
-
848.5
PI 34:3
PI 34:3
ME812368
-
C01194
-
850.5
PI 34:2
PI 34:2
ME812367
-
C01194
-
852.5
PI 34:1
PI 34:1
ME812366
-
C01194
-
854.5
PI 36:5
PI 36:5
ME812374
-
C01194
-
874.5
PI 36:4
PI 36:4
ME812373
-
C01194
-
876.5
PI 36:3
PI 36:3
ME812372
-
C01194
-
878.5
PI 36:2
PI 36:2
ME812371
-
C01194
-
880.5
PI 36:1
PI 36:1
ME812370
-
C01194
-
882.5
PI 37:4 (IS)
PI 37:4
ME812361
-
C01194
-
890.5
PI 38:6
PI 38:6
ME812380
-
C01194
-
900.5
PI 38:5
PI 38:5
ME812379
-
C01194
-
902.5
PI 38:4
PI 38:4
ME812378
-
C01194
-
904.5
PI 38:3
PI 38:3
ME812377
-
C01194
-
906.5
PI 38:2
PI 38:2
ME812376
-
C01194
-
908.5
PI 38:1
PI 38:1
ME812375
-
C01194
-
910.5
PI 40:6
PI 40:6
ME812384
-
C01194
-
928.5
PI 40:5
PI 40:5
ME812383
-
C01194
-
930.5
PI 40:4
PI 40:4
ME812382
-
C01194
-
932.5
PI 40:3
PI 40:3
ME812381
-
C01194
-
934.5
Analysis: Normal phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Cer 18:1;O2/12:0 (IS)
Cer 18:1;O2/12:0
ME812454
5283562
-
0.32
-
Cer 18:1;O2/14:0
Cer 18:1;O2/14:0
ME812455
5282310
-
0.32
-
Cer 18:1;O2/16:0
Cer 18:1;O2/16:0
ME812456
5283564
-
0.32
-
Cer 18:1;O2/16:1
Cer 18:1;O2/16:1
ME812457
-
-
0.32
-
Cer 18:1;O2/18:0
Cer 18:1;O2/18:0
ME812458
5283565
-
0.32
-
Cer 18:1;O2/18:1
Cer 18:1;O2/18:1
ME812459
5283563
-
0.32
-
Cer 18:1;O2/20:0
Cer 18:1;O2/20:0
ME812460
5283566
-
0.32
-
Cer 18:1;O2/22:0
Cer 18:1;O2/22:0
ME812461
5283567
-
0.32
-
Cer 18:1;O2/22:1
Cer 18:1;O2/22:1
ME812462
-
-
0.32
-
Cer 18:1;O2/24:0
Cer 18:1;O2/24:0
ME812463
5283571
-
0.32
-
Cer 18:1;O2/24:1
Cer 18:1;O2/24:1
ME812464
5283568
-
0.32
-
Cer 18:1;O2/26:0
Cer 18:1;O2/26:0
ME812465
5283570
-
0.32
-
Cer 18:1;O2/26:1
Cer 18:1;O2/26:1
ME812466
5283569
-
0.32
-
SM 18:1;O2/12:0 (IS)
SM 18:1;O2/12:0
ME812467
44260123
-
4.17
-
SM 18:1;O2/14:0
SM 18:1;O2/14:0
ME812468
11433862
-
4.16
-
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME812469
9939941
-
4.15
-
SM 18:1;O2/16:1
SM 18:1;O2/16:1
ME812470
52931145
-
4.15
-
SM 18:1;O2/18:0
SM 18:1;O2/18:0
ME812471
6453725
-
4.13
-
SM 18:1;O2/18:1
SM 18:1;O2/18:1
ME812472
6443882
-
4.13
-
SM 18:1;O2/20:0
SM 18:1;O2/20:0
ME812473
44260124
-
4.13
-
SM 18:1;O2/22:0
SM 18:1;O2/22:0
ME812474
44260125
-
4.12
-
SM 18:1;O2/22:1
SM 18:1;O2/22:1
ME812475
52931203
-
4.12
-
SM 18:1;O2/24:0
SM 18:1;O2/24:0
ME812476
44260127
-
4.11
-
SM 18:1;O2/24:1
SM 18:1;O2/24:1
ME812477
44260126
-
4.11
-
SM 18:1;O2/26:0
SM 18:1;O2/26:0
ME812478
44260129
-
4.09
-
SM 18:1;O2/26:1
SM 18:1;O2/26:1
ME812479
44260128
-
4.09
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
CL 61:1 (IS)
CL 61:1
ME812480
-
C05980
7.84
-
CL 68:4
CL 68:4
ME812481
-
C05980
8.12
-
CL 70:4
CL 70:4
ME812482
-
C05980
8.78
-
CL 72:4
CL 72:4
ME812483
-
C05980
9.46
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Arachidonic acid (20:4)
Arachidonic acid
ME812496
-
C00219
2.20
-
DHA (22:6)
-
ME812499
-
C06429
2.18
-
Docosadienoic acid (22:2)
-
ME812498
-
C16533
2.99
-
Docosenoic acid (22:1)
-
ME812497
-
C08316
3.19
-
Eicosadienoic acid (20:2)
-
ME812494
-
C16525/C21936
2.59
-
Eicosatrienoic acid (20:3)
-
ME812495
-
C03242/C16522/C21938
2.38
-
Eicosenoic acid (20:1)
-
ME812493
-
C16526/C21946
2.81
-
Hexadecenoic acid (16:1)
-
ME812488
-
C21942/C08362
2.01
-
Myristic acid (14:0)
-
ME812485
-
C06424
1.84
-
Octadecadienoic acid (18:2)
-
ME812491
-
C04056/C01595
2.20
-
Octadecatrienoic acid (18:3)
-
ME812492
-
C06426/C08315/C08364/C06427
2.00
-
Octadecenoic acid (18:1)
-
ME812490
-
C08363/C00712/C01712/C21944/C08367
2.42
-
Palmitic acid (16:0)
-
ME812487
-
C00249
2.25
-
Palmitic acid-d31 (IS)
-
ME812484
-
N/A
2.19
-
Stearic acid (18:0)
-
ME812489
-
C01530
2.67
-
Tetradecenoic acid (14:1)
-
ME812486
-
C08322
1.62
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel