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 ST000119 main page
Analysis: ESI positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Acetylcarnitine
CAR 2:0
ME681450
1
C02571
602
204.1232
gamma-Aminobutryic acid
gamma-Aminobutyric acid
ME681414
119
C00334
579
104.0707
L-Carnitine
Carnitine
ME681451
288
-
632
162.1118
Choline
Choline
ME681453
305
C00114
532
104.1081
Niacinamide
Niacinamide
ME681439
936
C00153
145
123.0556
Niacin (Nicotinic acid)
Nicotinic acid
ME681424
938
C00253
350
124.0396
Pantothenic Acid
Pantothenic acid
ME681435
988
C00864
313
220.1179
Trigonelline
Trigonelline
ME681452
5570
C01004
542
138.0554
Phenylalanine
Phenylalanine
ME681430
6140
C00079
479
166.0849
Guanosine
Guanosine
ME681449
6802
C00387
230
284.0991
Deoxycytidine
Deoxycytidine
ME681445
13711
C00881
250
228.0977
1-Methyladenosine
1-Methyladenosine
ME681418
27476
C02494
386
282.1208
Adenosine
Adenosine
ME681444
60961
C00212
214
268.1044
Proline
Proline
ME681436
145742
C00148
527
116.0712
5'-Methylthioadenosine
5'-Methylthioadenosine
ME681442
439176
C00170
157
298.0971
lysoPE 14:0; [M+H]+
LPE 14:0
ME681420
444183
-
461
426.2603
Urocanic acid
Urocanic acid
ME681446
736715
C00785
302
139.0497
lysoPE 15:0; [M+H]+
LPE 15:0
ME681419
-
-
458
440.2781
lysoPE 16:0; [M+H]+
LPE 16:0
ME681441
-
-
455
454.2918
lysoPE 16:1; [M+H]+
LPE 16:1
ME681425
-
-
457
452.2769
lysoPE 17:1; [M+H]+
LPE 17:1
ME681443
-
-
455
466.2927
lysoPE 18:1; [M+H]+
LPE 18:1
ME681447
-
-
454
480.3091
PE 26:0; [M+H]+
PE 26:0
ME681416
-
-
299
608.4292
PE 27:0; [M+H]+
PE 27:0
ME681421
-
-
294
622.4445
PE 28:0; [M+H]+
PE 28:0
ME681422
-
-
289
636.46
PE 28:1; [M+H]+
PE 28:1
ME681417
-
-
289
634.4433
PE 29:0; [M+H]+
PE 29:0
ME681423
-
-
286
650.475
PE 29:1; [M+H]+
PE 29:1
ME681415
-
-
284
648.4594
PE 30:0; [M+H]+
PE 30:0
ME681448
-
-
283
664.4911
PE 30:1; [M+H]+
PE 30:1
ME681429
-
-
280
662.4772
PE 31:1; [M+H]+
PE 31:1
ME681426
-
-
279
676.4922
PE 32:1; [M+H]+
PE 32:1
ME681431
-
-
273
690.5084
PE 32:2; [M+H]+
PE 32:2
ME681428
-
-
275
688.4904
PE 33:1; [M+H]+
PE 33:1
ME681427
-
-
273
704.5238
PE 33:2; [M+H]+
PE 33:2
ME681438
-
-
271
702.5069
PE 34:1; [M+H]+
PE 34:1
ME681433
-
-
269
718.5384
PE 34:2; [M+H]+
PE 34:2
ME681432
-
-
267
716.5237
PE 35:2; [M+H]+
PE 35:2
ME681437
-
-
267
730.5387
PE 36:2; [M+H]+
PE 36:2
ME681434
-
-
263
744.5537
PE 37:2; [M+H]+
PE 37:2
ME681440
-
-
263
758.5686
Analysis: ESI negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Hexose
Hexose
ME681457
206
C00738
209
179.0562
Salicylic acid
Salicylic acid
ME681462
338
C00805
129
137.0242
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME681459
441
C01089
211
103.0399
Itaconic acid
Itaconic acid
ME681461
811
C00490
99
129.0197
Isonicotinic acid
Isonicotinic acid
ME681458
5922
C07446
350
122.0246
Inosine
Inosine
ME681463
6021
C00294
199
267.074
N-acetylaspartate
N-Acetylaspartic acid
ME681456
65065
C01042
545
174.0417
Acetyl-L-Leucine
N-Acetylleucine
ME681460
75619
C02997
275
172.098
Dihydroorotic acid
Dihydroorotic acid
ME681454
439216
C00337
288
157.0257
maleic acid
Maleic acid
ME681455
444266
C01384
97
115.0032
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel