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 ST000698 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME198278
440473
-
0.645
198.0632
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME198279
47
-
4.485
130.063
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
LPC 16:0
ME198280
460602
-
22.208
495.3319
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME198281
460602
-
22.207
495.3316
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-
PC 16:0_18:0
ME198282
18631368
-
25.197
761.5926
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME198283
9547068
-
22.617
481.3163
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ...
Phosphoethanolamine
ME198284
1015
-
0.626
141.0184
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME198285
853180
-
3.494
118.0622
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME198286
12046
-
3.572
146.0568
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-
Oxoadipic acid
ME198287
71
-
1.387
160.0373
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
LPC 20:0
ME198288
24779473
-
22.81
551.3965
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME198289
9378
-
3.767
182.0573
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME198290
1662
-
1.579
162.0524
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-
3-Hydroxybenzaldehyde
ME198291
101
-
4.89
122.0366
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME198292
12284
-
3.557
146.0575
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
3-Methyladipic acid
ME198293
12292
-
5.687
160.0724
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-
3-Phosphoglyceric acid
ME198294
439183
-
0.773
185.9938
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-
4-Acetamidobutanoic acid
ME198295
18189
-
1.872
145.0726
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M-H)-
cis-4-Hydroxyproline
ME198296
440015
-
0.948
131.0583
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-
4-Hydroxybenzaldehyde
ME198297
126
-
4.89
122.0366
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME198298
70
-
4.871
130.0629
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME198299
70
-
4.857
130.0628
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-
4-Nitrobenzoic acid
ME198300
101532566
-
8.279
167.0209
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-
4-Nitrocatechol
ME198301
3505109
-
5.291
155.0213
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME198302
980
-
6.957
139.0267
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME198303
439176
-
4.354
297.0885
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME198304
439176
-
4.364
297.0889
5-AMINOLEVULINATE (CAS# 106-60-5); (M-H)-
5-Amino-levulinic acid
ME198305
137
-
0.941
131.0582
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
5-Aminopentanoic acid
ME198306
138
-
0.815
117.079
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-
5-Hydroxyindoleacetic acid
ME198307
1826
-
4.06
191.06
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-
5-Hydroxy-tryptophan
ME198308
439280
-
1.737
220.083
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME198309
7405
-
1.188
129.0424
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
Pimelic acid
ME198310
385
-
5.687
160.0724
ADENINE (CAS# 73-24-5); (M-H)-
Adenine
ME198311
190
-
0.58
135.0537
ADENOSINE (CAS# 58-61-7); (M+HCOO)-
Adenosine
ME198312
60961
-
1.734
267.0963
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
AMP
ME198313
6083
-
1.057
347.0611
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME198314
196
-
3.557
146.0575
ADP-RIBOSE (CAS# ); (M-H)-
ADP-ribose
ME198315
33576
-
0.805
559.0699
ADPGLUCOSE (CAS# ); (M-H)-
ADP-glucose
ME198316
16500
-
1.02
589.0797
ALLANTOIN (CAS# 97-59-6); (M-H)-
Allantoin
ME198317
439714
-
0.648
158.0443
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME198318
439507
-
1.579
180.0641
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME198319
123912
-
0.695
260.0305
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-
2-Oxoglutaric acid
ME198320
51
-
0.934
146.0221
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME198321
5280934
-
22.729
278.222
ARABITOL (CAS# 7643-75-6); (M+CL)-
Arabitol
ME198322
94154
-
0.641
152.0675
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME198323
10467
-
23.522
312.3019
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME198324
444899
-
22.674
304.2395
ASPARTATE (CAS# 56-84-8); (M-H)-
Aspartic acid
ME198325
5960
-
0.6
133.0383
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME198326
2266
-
10.711
188.1044
BENZOATE (CAS# 65-85-0); (M-H)-
Benzoic acid
ME198327
243
-
4.89
122.0366
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
Maltose
ME198328
439186
-
0.682
342.1142
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME198329
439186
-
0.66
342.1133
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME198330
439186
-
0.587
342.119
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME198331
294
-
0.66
342.1131
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-
Choline phosphate
ME198332
1014
-
0.637
183.0668
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME198333
5282768
-
23.215
310.2857
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME198334
643757
-
1.281
174.0165
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME198335
5282761
-
22.884
282.2553
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME198336
688597
-
3.749
219.1114
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME198337
688597
-
3.749
219.1114
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME198338
311
-
0.993
192.0275
CITRULLINE (CAS# 372-75-8); (M-H)-
Citrulline
ME198339
9750
-
0.624
175.0951
CREATINE (CAS# 57-00-1); (M-H)-
Creatine
ME198340
586
-
0.643
131.0699
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME198341
15091
-
10.711
142.099
CYTIDINE (CAS# 65-46-3); (M-H)-
Cytidine
ME198342
6175
-
0.619
243.0866
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+C...
CDP-choline
ME198343
13804
-
0.642
488.1071
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME198344
66308
-
0.647
150.0533
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-
Galactosamine
ME198345
3034366
-
0.583
179.0792
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-
Glucosamine
ME198346
439213
-
0.583
179.0792
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-
Glucose 6-phosphate
ME198347
5958
-
0.695
260.0307
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
Lyxose
ME198348
65550
-
0.69
150.0525
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
Lyxose
ME198349
65550
-
0.64
150.0534
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME198350
65550
-
0.642
150.0535
D-PSICOSE (CAS# 551-68-8); (M+CL)-
Psicose
ME198351
90008
-
0.632
180.0644
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
D-Tagatose
ME198352
90008
-
0.627
180.0644
DECANOATE (CAS# 334-48-5); (M-H)-
Capric acid
ME198353
2969
-
19.792
172.1454
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-
L-Dehydroascorbic acid
ME198354
210328
-
0.98
174.0152
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
L-Dehydroascorbic acid
ME198355
210328
-
0.793
174.017
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
Deoxycytidine
ME198356
13711
-
0.955
227.09
DGMP (CAS# 902-04-5); (M-H)-
dGMP
ME198357
6994968
-
1.369
347.0611
DIACETYL (CAS# 431-03-8); (M+HCOO)-
Diacetyl
ME198358
650
-
2.036
86.0367
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-
Dihydroxymandelic acid
ME198359
85782
-
0.761
184.0379
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME198360
445580
-
22.647
328.2407
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME198361
637517
-
22.884
282.2553
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME198362
115196
-
19.794
480.3446
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME198363
115196
-
19.812
480.3456
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-
Phosphoethanolamine
ME198364
1015
-
0.627
141.0184
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME198365
11756
-
2.584
132.0423
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)...
FAD
ME198366
643975
-
6.398
785.1568
FOLIC ACID (CAS# 59-30-3); (M-H)-
Folic acid
ME198367
6037
-
5.736
441.1389
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME198368
5984
-
0.627
180.0644
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
Fructose
ME198369
5984
-
0.645
180.0635
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME198370
444972
-
1.213
116.0111
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME198371
84740
-
0.649
194.0411
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
gamma-Butyrolactone
ME198372
7302
-
2.036
86.0367
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME198373
5280933
-
22.729
278.222
GDPMANNOSE (CAS# ); (M-H)-
GDP-mannose
ME198374
18396
-
0.866
605.0761
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME198375
6466
-
8.459
346.1407
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME198376
6466
-
8.464
346.1408
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME198377
6466
-
8.468
346.1414
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME198378
33037
-
0.904
210.0391
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME198379
10690
-
0.647
196.0588
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
Glucose
ME198380
5793
-
0.663
180.0628
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME198381
5793
-
0.627
180.0644
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-
Glucose 1-phosphate
ME198382
65533
-
0.695
260.0307
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-
Glucuronic acid
ME198383
94715
-
0.676
194.0442
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME198384
94715
-
0.649
194.0411
GLUTAMATE (CAS# 56-86-0); (M-H)-
Glutamic acid
ME198385
33032
-
0.613
147.0543
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME198386
5961
-
0.592
146.0679
GLUTARATE (CAS# 110-94-1); (M-H)-
Glutaric acid
ME198387
743
-
2.036
132.0422
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Glutathione
ME198388
124886
-
1.358
612.1517
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME198389
79014
-
1.581
90.0313
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
sn-Glycero-2-phosphate
ME198390
2526
-
0.677
172.0132
GUANOSINE (CAS# 118-00-3); (M+CL)-
Guanosine
ME198391
6802
-
1.496
283.0907
GUANOSINE (CAS# 118-00-3); (M-H)-
Guanosine
ME198392
6802
-
1.781
283.0906
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-...
-
ME198393
451
-
1.02
589.0805
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-
GMP
ME198394
6804
-
0.926
363.0548
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME198395
10465
-
22.933
270.2547
HIPPURATE (CAS# 495-69-2); (M-H)-
Hippuric acid
ME198396
464
-
4.787
179.0573
HOMOCYSTEINE (CAS# 454-29-5); (M-H)-
Homocysteine
ME198397
91552
-
0.607
135.0346
HOMOVANILLATE (CAS# 306-08-1); (M-H)-
Homovanillic acid
ME198398
1738
-
5.948
182.0572
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME198399
5283820
-
22.832
392.294
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME198400
6021
-
1.794
268.0802
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)-
IMP
ME198401
8582
-
0.997
348.047
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME198402
5318532
-
0.871
192.0275
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME198403
6306
-
1.537
131.094
L-ARGININE (CAS# 74-79-3); (M-H)-
Arginine
ME198404
6322
-
0.58
174.1107
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
Gulonic acid
ME198405
152304
-
0.666
196.0572
L-GULONATE (CAS# 6322-07-2); (M-H)-
Gulonic acid
ME198406
152304
-
0.64
196.0588
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME198407
6274
-
0.592
155.0688
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-
Methionine sulfoximine
ME198408
89034
-
0.596
180.0586
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME198409
16217285
-
3.496
206.0836
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME198410
227
-
5.305
138.0443
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME198411
440995
-
0.66
342.1131
LAURIC ACID (CAS# 143-07-7); (M-H)-
Lauric acid
ME198412
3893
-
21.722
200.177
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME198413
6106
-
1.537
131.094
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME198414
11197
-
24.668
368.3636
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME198415
5280450
-
22.686
280.2391
LYSINE (CAS# 56-87-1); (M-H)-
Lysine
ME198416
5962
-
0.532
146.1049
MALATE (CAS# 97-67-6); (M-H)+[-H2O]
Malic acid
ME198417
222656
-
0.939
134.0228
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME198418
222656
-
0.719
134.0226
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME198419
444266
-
1.111
116.0119
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME198420
439186
-
0.66
342.1131
MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME198421
439186
-
0.587
342.119
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-
Mannose 6-phosphate
ME198422
439198
-
0.695
260.0307
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME198423
440658
-
0.66
342.1131
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
Melibiose
ME198424
440658
-
0.595
342.119
METHIONINE (CAS# 63-68-3); (M-H)-
Methionine
ME198425
6137
-
0.878
149.0506
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME198426
94214
-
0.736
194.0774
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...
Methyl beta-D-galactoside
ME198427
94214
-
0.689
194.0783
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME198428
487
-
1.31
118.0268
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME198429
73917
-
3.575
146.0575
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME198430
11005
-
22.416
228.2083
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME198431
5281119
-
22.028
226.1927
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetyl-D-glucosamine
ME198432
446101
-
0.661
221.0895
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME198433
53477792
-
0.661
221.0895
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-
N-Acetylglutamic acid
ME198434
185
-
1.297
189.0629
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME198435
448580
-
4.064
191.0608
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
N-Acetylserine
ME198436
65249
-
0.613
147.0543
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME198437
88064
-
1.496
131.0576
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME198438
65065
-
0.956
175.048
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetyl-D-galactosamine
ME198439
35717
-
0.661
221.0895
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME198440
439197
-
0.574
309.1052
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-
Guanidinosuccinic acid
ME198441
439918
-
0.663
175.0592
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
N-Methyl-D-aspartic acid
ME198442
4376
-
0.613
147.0543
NAD (CAS# 53-84-9); (M-H)-
NAD+
ME198443
5893
-
1.003
663.1076
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME198444
5281120
-
24.089
366.3483
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME198445
21236
-
1.537
131.094
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME198446
445639
-
22.884
282.2553
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-
Ophthalmic acid
ME198447
7018721
-
1.213
289.1249
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Oxidized glutathione
ME198448
65359
-
1.358
612.1517
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME198449
439559
-
0.66
342.1131
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
Palatinose
ME198450
439559
-
0.587
342.119
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME198451
985
-
22.815
256.2399
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME198452
445638
-
22.566
254.2238
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME198453
6613
-
3.274
219.11
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME198454
6613
-
3.276
219.1104
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME198455
999
-
3.765
136.0518
PHENYLACETIC ACID (CAS# 103-82-2); (M+HCOO)-
Phenylacetic acid
ME198456
999
-
5.948
136.0517
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME198457
6140
-
2.466
165.0786
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-
Phosphocreatine
ME198458
9548602
-
0.664
211.0351
PHTHALATE (CAS# 88-99-3); (M-H)-
Phthalic acid
ME198459
1017
-
4.827
166.0258
PHYTANATE (CAS# 14721-66-5); (M-H)-
Phytanic acid
ME198460
10380830
-
23.22
312.3015
PINITOL (CAS# 10284-63-6); (M+CL)-
Pinitol
ME198461
164619
-
0.736
194.0774
PURINE (CAS# 120-73-0); (M-H)-
Purine
ME198462
1044
-
1.576
120.0436
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M-H)-
Pyridoxal 5'-phosphate
ME198463
1051
-
1.366
247.025
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME198464
439242
-
0.681
504.1649
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-
Raffinose
ME198465
439242
-
0.618
504.1694
RIBITOL (CAS# 488-81-3); (M+CL)-
Ribitol
ME198466
94154
-
0.643
152.0676
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
Riboflavin
ME198467
493570
-
7.518
376.1374
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME198468
493570
-
7.512
376.1365
RIBOSE (CAS# 50-69-1); (M+CL)-
Ribose
ME198469
5779
-
0.692
150.0525
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-
Ribose 5-phosphate
ME198470
439167
-
0.679
230.021
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME198471
338
-
8.219
138.0304
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME198472
5192
-
12.924
202.1202
SERINE (CAS# 56-45-1); (M-H)-
Serine
ME198473
617
-
0.588
105.0418
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME198474
439285
-
0.619
257.1027
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME198475
439285
-
0.613
257.1022
STACHYOSE (CAS# 54261-98-2); (M+CL)-
Stachyose
ME198476
439531
-
0.68
666.217
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME198477
5281
-
23.158
284.271
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME198478
10457
-
8.235
174.0884
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME198479
1110
-
1.304
118.0268
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME198480
5988
-
0.661
342.1131
SUCROSE (CAS# 57-50-1); (M+HCOO)-
Sucrose
ME198481
5988
-
0.587
342.119
TAURINE (CAS# 107-35-7); (M-H)-
Taurine
ME198482
1123
-
0.598
125.0157
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
Threonine
ME198483
6288
-
0.614
119.0594
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M-H)-
trans-4-Hydroxyproline
ME198484
5810
-
0.944
131.0583
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME198485
444212
-
1.256
174.0163
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME198486
5281127
-
22.884
282.2553
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME198487
14925
-
1.199
176.0325
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME198488
6057
-
1.283
181.0735
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-
UDP-galactose
ME198489
44134987
-
1.267
566.0547
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-
UDP-glucose
ME198490
53477679
-
1.226
566.0548
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O]
UDP-N-acetylgalactosamine
ME198491
23724461
-
0.721
607.0844
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-
UDP-N-acetylgalactosamine
ME198492
23724461
-
0.829
607.0819
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-
UDP-N-acetylglucosamine
ME198493
445675
-
1.24
607.0813
URIDINE (CAS# 58-96-8); (M+CL)-
Uridine
ME198494
6029
-
1.36
244.0693
URIDINE (CAS# 58-96-8); (M+HCOO)-
Uridine
ME198495
6029
-
1.322
244.0686
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME198496
6029
-
1.353
244.0688
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
UMP
ME198497
6030
-
0.877
324.0371
VALINE (CAS# 72-18-4); (M-H)-
Valine
ME198498
6287
-
0.819
117.079
XANTHINE (CAS# 69-89-6); (M-H)-
Xanthine
ME198499
1188
-
1.237
152.0331
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME198500
64959
-
2.242
284.0749
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME198501
135191
-
0.647
150.0533
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME198502
449093
-
3.749
219.1112
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME198503
449093
-
3.749
219.1114
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
(-)-COTININE (CAS# 486-56-6); (M+H)+
Cotinine
ME198504
854019
-
1.695
176.0945
1-(5'-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMI...
AICAR
ME198505
65110
-
0.617
338.0643
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME198506
5460234
-
0.807
101.0472
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME198507
27476
-
2.982
281.1116
1-METHYLNICOTINAMIDE (CAS# ); M+
1-Methyl nicotinamide
ME198508
457
-
0.588
137.0707
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+
1-Methylxanthine
ME198509
80220
-
2.503
166.049
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+
1-Methylxanthine
ME198510
80220
-
2.508
166.0483
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME198511
5283468
-
22.73
356.293
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME198512
460602
-
22.231
495.332
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME198513
460602
-
22.232
495.3334
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+
PC 16:0_18:0
ME198514
18631368
-
25.259
761.5931
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
PC 16:0_18:0
ME198515
18631368
-
25.259
761.5936
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+
LPE 18:0
ME198516
9547068
-
22.628
481.3212
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME198517
187790
-
1.759
267.0968
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+
Citraconic acid
ME198518
643798
-
2.583
130.0274
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+
LPC 20:0
ME198519
24779473
-
22.945
551.3998
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
SM 18:1;O2/24:0
ME198520
44260127
-
27.485
814.6939
3'-CMP (CAS# 63-37-6); (M+H)+
3'-CMP
ME198521
66535
-
0.7
323.0504
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME198522
64956
-
1.84
103.0628
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA...
3-Hydroxymethylglutaric acid
ME198523
1662
-
1.663
162.0526
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME198524
12292
-
5.764
160.0741
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME198525
18189
-
1.903
145.0735
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...
Vanylglycol
ME198526
688030
-
2.586
184.0721
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME198527
439176
-
4.408
297.0898
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME198528
439176
-
4.416
297.0894
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME198529
138
-
0.76
117.0784
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME198530
7405
-
1.203
129.0418
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME198531
65728
-
24.562
386.355
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME198532
385
-
5.764
160.0741
ACETOACETATE (CAS# 541-50-4); (M+H)+
Acetoacetic acid
ME198533
96
-
2.596
102.0326
ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME198534
18230
-
0.788
203.1149
ACETYLCHOLINE (CAS# 51-84-3); M+
Acetylcholine
ME198535
187
-
3.787
146.1174
ADENINE (CAS# 73-24-5); (M+H)+
Adenine
ME198536
190
-
0.859
135.054
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME198537
60961
-
1.759
267.0967
ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+
ADP
ME198538
6022
-
0.998
427.029
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
AMP
ME198539
6083
-
0.985
347.0621
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]
ADP-ribose
ME198540
33576
-
0.724
559.0724
ADP-RIBOSE (CAS# ); (M+NA)+
ADP-ribose
ME198541
33576
-
0.596
559.0663
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]
Allose
ME198542
439507
-
1.668
180.0617
ASPARTATE (CAS# 56-84-8); (M+H)+
Aspartic acid
ME198543
5960
-
0.623
133.0369
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME198544
2266
-
10.778
188.1058
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME198545
239
-
0.656
89.047
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME198546
439186
-
0.692
342.1149
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME198547
247
-
0.762
117.0784
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME198548
247
-
0.53
117.0787
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
Bis(2-ethylhexyl)phthalate
ME198549
8343
-
23.072
390.2798
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME198550
8343
-
23.071
390.2778
BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+
CAR 4:0
ME198551
213144
-
2.84
231.1466
CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME198552
10917
-
0.604
161.1038
CARNOSINE (CAS# 305-84-0); (M+H)+
Carnosine
ME198553
439224
-
0.578
226.1081
CARNOSINE (CAS# 305-84-0); (M+NA)+
Carnosine
ME198554
439224
-
0.722
226.1082
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME198555
294
-
0.702
342.1149
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME198556
5997
-
24.562
386.355
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[...
Cholesterol sulfate
ME198557
65076
-
23.755
466.3078
CHOLINE (CAS# 62-49-7); M+
Choline
ME198558
305
-
0.596
104.107
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
Choline phosphate
ME198559
1014
-
0.636
183.0647
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+
Choline phosphate
ME198560
1014
-
0.627
183.0648
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+
cis-Vaccenic acid
ME198561
5282761
-
22.913
282.2535
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME198562
688597
-
3.789
219.1124
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME198563
311
-
1.046
192.0265
CITRULLINE (CAS# 372-75-8); (M+H)+
Citrulline
ME198564
9750
-
0.7
175.095
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME198565
9750
-
0.73
175.0973
CMP (CAS# 63-37-6); (M+H)+
CMP
ME198566
6131
-
0.69
323.0504
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME198567
586
-
0.619
131.0685
CREATININE (CAS# 60-27-5); (M+H)+
Creatinine
ME198568
588
-
0.649
113.0582
CYSTATHIONINE (CAS# 56-88-2); (M+NA)+
Cystathionine
ME198569
439258
-
0.609
222.0672
CYTIDINE 5'-DIPHOSPHATE (CAS# 63-38-7); (M+H)+
CDP
ME198570
6132
-
0.753
403.0182
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...
CDP-choline
ME198571
13804
-
0.651
488.1045
CYTOSINE (CAS# 71-30-7); (M+H)+
Cytosine
ME198572
597
-
0.704
111.043
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]
Galactosamine
ME198573
3034366
-
0.545
179.0786
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+K)+
Glucose 6-phosphate
ME198574
5958
-
0.632
260.031
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]
2-Amino-2-deoxy-D-mannose
ME198575
3034366
-
0.545
179.0789
D-ORNITHINE (CAS# 348-66-3); (M+H)+
D-Ornithine
ME198576
6262
-
0.52
132.0898
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]
Psicose
ME198577
90008
-
0.673
180.0621
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME198578
2969
-
22.776
172.1461
DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+
Deoxycytidine
ME198579
13711
-
0.609
227.0928
DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+
Dethiobiotin
ME198580
445027
-
8.511
214.1336
DGMP (CAS# 902-04-5); (M+H)+
dGMP
ME198581
6994968
-
1.362
347.0618
EDTA (CAS# 60-00-4); (M+H)+
Edetic acid
ME198582
6049
-
0.855
292.0888
EICOSATRIENOYLCARNITINE (*) (CAS# 000-00-0); M+
CAR 20:3
ME198583
87076458
-
20.953
422.3237
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME198584
637517
-
22.717
282.2556
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+H)+
24-epi-Brassinolide
ME198585
115196
-
19.821
480.3449
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+NA)+
24-epi-Brassinolide
ME198586
115196
-
19.822
480.346
ERYTHRITOL (CAS# 149-32-6); (M+NA)+
Erythritol
ME198587
222285
-
0.666
122.059
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+
Ethylmalonic acid
ME198588
11756
-
3.038
132.0422
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)...
FAD
ME198589
643975
-
6.458
785.1549
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+
Flucytosine
ME198590
3366
-
0.615
129.0344
FOLIC ACID (CAS# 59-30-3); (M+H)+
Folic acid
ME198591
6037
-
5.788
441.141
FOLIC ACID (CAS# 59-30-3); (M+NA)+
Folic acid
ME198592
6037
-
5.787
441.14
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME198593
5984
-
0.628
180.062
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME198594
123938
-
0.968
250.0619
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME198595
123938
-
0.964
250.0628
GDPMANNOSE (CAS# ); (M+H)+
GDP-mannose
ME198596
18396
-
0.879
605.0719
GDPMANNOSE (CAS# ); (M+NA)+
GDP-mannose
ME198597
18396
-
0.623
605.0762
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+
Gibberellin A3
ME198598
6466
-
8.51
346.1421
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]
Glucose
ME198599
5793
-
0.747
180.0621
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME198600
5793
-
0.61
180.062
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME198601
33032
-
0.633
147.0519
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME198602
33032
-
0.61
147.0524
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME198603
5961
-
0.605
146.0679
GLUTARYLCARNITINE (*) (CAS# 102636-82-8); (M+H)+
CAR DC5:0
ME198604
53481622
-
1.931
275.1356
GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Glutathione
ME198605
124886
-
1.37
612.1514
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
Glutathione
ME198606
124886
-
1.367
612.1521
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
Glycochenodeoxycholic acid
ME198607
9548796
-
20.312
449.3145
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME198608
764
-
0.984
151.0496
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME198609
6802
-
1.816
283.0918
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+
GMP
ME198610
6804
-
0.969
363.0576
HIPPURATE (CAS# 495-69-2); (M+NA)+
Hippuric acid
ME198611
464
-
4.84
179.0583
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME198612
800
-
1.701
159.0681
INOSINE (CAS# 58-63-9); (M+NA)+
Inosine
ME198613
6021
-
1.812
268.081
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+H)+
IMP
ME198614
8582
-
1.063
348.0488
ISO-BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+
CAR 3:0;2Me
ME198615
168379
-
2.834
231.1466
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME198616
6306
-
1.529
131.0947
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME198617
6306
-
1.583
131.0936
ISOVALERYLCARNITINE (*) (CAS# 31023-24-2); (M+H)+
CAR 4:0;3Me
ME198618
169235
-
4.447
245.1624
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME198619
161166
-
2.167
208.0849
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME198620
99289
-
0.657
119.0574
L-ARGININE (CAS# 74-79-3); (M+H)+
Arginine
ME198621
6322
-
0.583
174.111
L-ARGININE (CAS# 74-79-3); (M+NA)+
Arginine
ME198622
6322
-
0.569
174.1107
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME198623
6274
-
0.706
155.0688
L-HISTIDINE (CAS# 71-00-1); (M+NA)+
Histidine
ME198624
6274
-
0.584
155.0687
L-ORNITHINE (CAS# 70-26-8); (M+H)+
Ornithine
ME198625
6262
-
0.52
132.0888
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME198626
16217285
-
3.547
206.0843
LACTOSE (CAS# 63-42-3); (M+K)+
Lactose
ME198627
440995
-
0.678
342.1148
LACTOSE (CAS# 63-42-3); (M+NA)+
Lactose
ME198628
440995
-
0.673
342.1149
LANOSTEROL (CAS# 79-63-0); (M+NA)+
Lanosterol
ME198629
246983
-
23.678
426.3837
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME198630
6106
-
1.586
131.0948
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME198631
6106
-
1.586
131.0935
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME198632
5280492
-
20.59
336.2285
LINOLEOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+
CAR 18:2
ME198633
6450015
-
20.555
423.3335
LUMICHROME (CAS# 1086-80-2); (M+NA)+
Lumichrome
ME198634
5326566
-
10.887
242.0826
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME198635
5962
-
0.521
146.1056
MALATE (CAS# 636-61-3); (M+NA)+
Malic acid
ME198636
222656
-
0.777
134.0211
MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME198637
439186
-
0.682
342.1149
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+H)+[-H2O]
Mannose 6-phosphate
ME198638
439198
-
0.648
260.0307
MELIBIOSE (CAS# 585-99-9); (M+K)+
Melibiose
ME198639
440658
-
0.678
342.1148
MELIBIOSE (CAS# 585-99-9); (M+NA)+
Melibiose
ME198640
440658
-
0.703
342.1149
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME198641
6137
-
0.975
149.0512
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME198642
94214
-
0.805
194.0772
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME198643
5281929
-
15.987
224.1405
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME198644
892
-
0.609
180.062
MYRISTOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+
CAR 14:0
ME198645
3413344
-
19.455
371.3028
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+
3-Methylhistidine
ME198646
64969
-
0.546
169.0853
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H...
N-Acetyl-D-glucosamine
ME198647
446101
-
0.829
221.0913
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (2M+NA...
N-Acetylglutamic acid
ME198648
185
-
1.319
189.064
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+
N-Acetylglutamic acid
ME198649
185
-
1.324
189.0621
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...
N-Acetylglutamic acid
ME198650
185
-
1.324
189.0625
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME198651
185
-
1.318
189.0626
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+
N-Acetylmethionine
ME198652
448580
-
4.161
191.0616
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME198653
448580
-
4.11
191.0616
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME198654
65249
-
0.656
147.0525
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME198655
65249
-
0.662
147.0521
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME198656
88064
-
1.519
131.057
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+
N-Acetylaspartic acid
ME198657
65065
-
0.964
175.0476
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...
N-Acetylaspartic acid
ME198658
65065
-
0.968
175.0465
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+
N-Acetylaspartic acid
ME198659
65065
-
0.974
175.0476
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+
N-Acetylleucine
ME198660
75619
-
6.958
173.1046
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME198661
75619
-
6.944
173.1056
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2...
N-Acetyl-D-galactosamine
ME198662
35717
-
0.829
221.0913
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+
N-Acetylneuraminic acid
ME198663
439197
-
0.687
309.1032
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+
N-Acetylneuraminic acid
ME198664
439197
-
0.677
309.1036
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME198665
92907
-
0.887
188.1168
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
N-Cyclohexylformamide
ME198666
13017
-
7.975
127.0994
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME198667
13017
-
7.981
127.0992
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME198668
4376
-
0.633
147.0519
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME198669
5570
-
0.838
137.0477
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+
N-Oleoyl glycine
ME198670
6436908
-
22.851
339.2799
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+
N1-Acetylspermine
ME198671
916
-
0.478
244.2258
NAD (CAS# 53-84-9); (M+2H)+2
NAD+
ME198672
5893
-
1.029
663.1085
NAD (CAS# 53-84-9); (M+H)+
NAD+
ME198673
5893
-
1.009
663.1085
NAD (CAS# 53-84-9); (M+NA)+
NAD+
ME198674
5893
-
0.953
663.1044
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME198675
936
-
1.084
122.0474
NORADRENALINE (CAS# 51-41-2); (M+H)+
Xi-Norepinephrine
ME198676
951
-
0.731
169.073
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME198677
21236
-
1.586
131.0948
NORMETANEPHRINE (CAS# 97-31-4); (M+H)+[-H2O]
Normetanephrine
ME198678
688100
-
2.614
183.0884
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME198679
65098
-
0.87
117.0792
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME198680
65098
-
0.869
117.0795
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+
DL-O-Phosphoserine
ME198681
106
-
0.599
185.0099
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+
DL-O-Phosphoserine
ME198682
106
-
0.611
185.0087
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+
DL-O-Phosphoserine
ME198683
106
-
0.623
185.0076
O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+
DL-O-Phosphoserine
ME198684
68841
-
0.623
185.0076
OLEAMIDE (CAS# 301-02-0); (M+H)+
Oleamide
ME198685
5283387
-
22.592
281.2695
OLEAMIDE (CAS# 301-02-0); (M+NA)+
Oleamide
ME198686
5283387
-
22.591
281.2702
OLEIC ACID (CAS# 112-80-1); (M+H)+
Oleic acid
ME198687
445639
-
22.516
282.2545
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME198688
445639
-
22.553
282.2542
OLEOYLCARNITINE (*) (CAS# 13962-05-5); (M+H)+
CAR 18:1
ME198689
6441392
-
21.234
425.3499
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
Ophthalmic acid
ME198690
7018721
-
1.242
289.1252
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
Oxidized glutathione
ME198691
65359
-
1.367
612.1527
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Oxidized glutathione
ME198692
65359
-
1.37
612.1514
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME198693
439559
-
0.692
342.1149
PALMITOLEYLCARNITINE (*) (CAS# 000-00-0); M+
CAR 16:1
ME198694
71464547
-
20.057
398.3242
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME198695
11953816
-
20.95
399.3342
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME198696
6613
-
3.317
219.1108
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME198697
6613
-
3.316
219.1108
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME198698
6140
-
2.5
165.0777
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME198699
6140
-
2.618
165.0775
PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+
Phenylhydrazine
ME198700
7516
-
3.946
108.0683
PHOSPHOCREATINE (CAS# 67-07-2); (M+H)+
Phosphocreatine
ME198701
9548602
-
0.659
211.0345
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME198702
164619
-
0.781
194.0772
PIPECOLATE (CAS# 535-75-1); (M+NA)+
Pipecolic acid
ME198703
849
-
1.012
129.078
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME198704
83228
-
0.555
162.1013
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME198705
145742
-
0.676
115.0627
PROPIONYLCARNITINE (*) (CAS# 17298-37-2); (M+H)+
CAR 3:0
ME198706
107738
-
1.596
217.1312
PURINE (CAS# 120-73-0); (M+H)+
Purine
ME198707
1044
-
1.194
120.0438
PYRIDOXAL (CAS# 66-72-8); (M+H)+
Pyridoxal
ME198708
1050
-
0.9
167.058
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+
Pyridoxal 5'-phosphate
ME198709
1051
-
1.37
247.0238
PYRIDOXINE (CAS# 65-23-6); (M+H)+
Pyridoxine
ME198710
1054
-
1.071
169.0735
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME198711
79050
-
22.127
302.2472
RIBOFLAVIN (CAS# 83-88-5); (M+H)+
Riboflavin
ME198712
493570
-
7.576
376.1385
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME198713
493570
-
7.58
376.1389
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME198714
439155
-
1.472
384.1226
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+
S-Adenosylmethionine
ME198715
34755
-
0.667
398.1364
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME198716
1088
-
0.656
89.047
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME198717
617
-
0.972
105.0417
SEROTONIN (CAS# 50-67-9); (M+H)+
Serotonin
ME198718
5202
-
1.695
176.094
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME198719
439285
-
0.657
257.102
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME198720
1102
-
0.476
145.1577
SPERMINE (CAS# 71-44-3); (M+H)+
Spermine
ME198721
1103
-
0.475
202.2156
SPHINGANINE (CAS# 764-22-7); (M+H)+
Sphinganine
ME198722
644260
-
20.461
301.2972
SPHINGOSINE (CAS# 123-78-4); (M+H)+
Sphingosine
ME198723
5280335
-
20
299.2822
SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]
Sphingosine
ME198724
5280335
-
20.002
299.2805
SPHINGOSINE (CAS# 123-78-4); (M+NA)+
Sphingosine
ME198725
5280335
-
20.002
299.2796
STACHYOSE (CAS# 54261-98-2); (M+K)+
Stachyose
ME198726
439531
-
0.695
666.2166
STACHYOSE (CAS# 54261-98-2); (M+NA)+
Stachyose
ME198727
439531
-
0.693
666.2224
STEAROYLCARNITINE (*) (CAS# 1976-27-8); (M+H)+
CAR 18:0
ME198728
52922056
-
21.626
427.3645
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME198729
10457
-
8.301
174.0899
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME198730
5988
-
0.692
342.1149
TAURINE (CAS# 107-35-7); (M+H)+
Taurine
ME198731
1123
-
0.641
125.0142
TAURINE (CAS# 107-35-7); (M+K)+
Taurine
ME198732
1123
-
0.633
125.0141
TAURINE (CAS# 107-35-7); (M+NA)+
Taurine
ME198733
1123
-
0.635
125.0138
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME198734
1130
-
0.605
265.1106
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]
Thiamine
ME198735
1130
-
0.596
265.1115
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME198736
6288
-
0.736
119.0578
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (2M+NA...
TMP
ME198737
12803287
-
1.394
322.0542
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME198738
6305
-
3.538
204.0885
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME198739
6057
-
1.305
181.073
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME198740
6057
-
1.31
181.0738
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+
UDP-N-acetylgalactosamine
ME198741
23724461
-
0.812
607.0785
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+
UDP-N-acetylglucosamine
ME198742
445675
-
1.217
607.0795
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)...
UDP-N-acetylglucosamine
ME198743
445675
-
1.329
607.0792
URIDINE (CAS# 58-96-8); (M+NA)+
Uridine
ME198744
6029
-
1.352
244.069
UROCANATE (CAS# 104-98-3); (M+H)+
Urocanic acid
ME198745
736715
-
0.965
138.0436
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME198746
6287
-
0.87
117.0792
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME198747
6287
-
0.531
117.0787
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME198748
1188
-
1.266
152.0324
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME198749
64959
-
2.288
284.0758
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME198750
449093
-
3.789
219.1123
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel