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Return to study ST000756 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
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-
Methionine sulfoximine
ME209404
89034
-
0.56
180.0585
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]
Glucose
ME209364
5793
-
0.567
180.0636
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME209296
439186
-
0.568
342.1164
MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME209424
439186
-
0.568
342.1164
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
Melibiose
ME209427
440658
-
0.568
342.1164
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
Palatinose
ME209460
439559
-
0.568
342.1164
SUCROSE (CAS# 57-50-1); (M+HCOO)-
Sucrose
ME209497
5988
-
0.568
342.1164
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME209472
83228
-
0.584
162.1003
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...
Anserine
ME209293
112072
-
0.605
240.1214
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)...
Adenosine phosphosulfate
ME209280
10238
-
0.624
427.0222
LYSINE (CAS# 56-87-1); (M-H)-
Lysine
ME209418
5962
-
0.624
146.1047
L-ARGININE (CAS# 74-79-3); (M-H)-
Arginine
ME209398
6322
-
0.649
174.1113
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME209403
6274
-
0.653
155.0697
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
Fructose
ME209351
5984
-
0.657
180.0634
GLYCINE (CAS# 56-40-6); (M-H)-
Glycine
ME209374
750
-
0.658
75.0325
LACTOSE (CAS# 63-42-3); (M-H)-
Lactose
ME209411
440995
-
0.659
342.1165
SERINE (CAS# 56-45-1); (M-H)-
Serine
ME209490
617
-
0.66
105.0429
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME209368
5961
-
0.665
146.0695
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME209399
16217579
-
0.665
176.1042
HYPOTAURINE (CAS# 300-84-5); (M-H)-
Hypotaurine
ME209387
107812
-
0.666
109.0205
TAURINE (CAS# 107-35-7); (M-H)-
Taurine
ME209498
1123
-
0.669
125.0153
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-
L-Dehydroascorbic acid
ME209327
210328
-
0.678
174.0161
D-ORNITHINE (CAS# 348-66-3); (M-H)-
D-Ornithine
ME209323
6262
-
0.683
132.0888
L-ORNITHINE (CAS# 70-26-8); (M-H)-
Ornithine
ME209405
6262
-
0.683
132.0888
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...
Methyl beta-D-galactoside
ME209430
94214
-
0.684
194.0778
CITRULLINE (CAS# 372-75-8); (M-H)-
Citrulline
ME209313
9750
-
0.685
175.0961
D-PSICOSE (CAS# 551-68-8); (M+CL)-
Psicose
ME209324
90008
-
0.687
180.0641
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
D-Tagatose
ME209325
90008
-
0.687
180.0641
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME209350
5984
-
0.687
180.0641
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME209365
5793
-
0.687
180.0641
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME209322
65550
-
0.689
150.0524
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME209354
84740
-
0.692
194.0409
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME209367
94715
-
0.692
194.0409
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME209222
440473
-
0.693
198.0628
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-
2-Deoxy-glucose
ME209236
439268
-
0.697
164.0673
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-
Rhamnose
ME209407
25310
-
0.697
164.0673
ALLANTOIN (CAS# 97-59-6); (M-H)-
Allantoin
ME209282
439714
-
0.699
158.0438
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetyl-D-glucosamine
ME209435
446101
-
0.708
221.088
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME209436
53477792
-
0.708
221.088
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetyl-D-galactosamine
ME209443
35717
-
0.708
221.088
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)-
Malonic acid
ME209422
867
-
0.714
108.0367
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-
Hydroxypyruvic acid
ME209251
964
-
0.715
104.0113
MALONATE (CAS# 141-82-2); (M-H)-
Malonic acid
ME209421
867
-
0.715
104.0113
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
Deoxycytidine
ME209335
13711
-
0.716
227.0891
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
Lyxose
ME209320
65550
-
0.716
150.0541
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
Gulonic acid
ME209401
152304
-
0.716
196.0583
RIBOSE (CAS# 50-69-1); (M+CL)-
Ribose
ME209483
5779
-
0.716
150.0541
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
Glucose
ME209363
5793
-
0.717
180.0643
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
Lyxose
ME209321
65550
-
0.719
150.0524
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME209478
439242
-
0.719
504.1665
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME209295
439186
-
0.72
342.1171
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME209301
294
-
0.72
342.1171
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME209410
440995
-
0.72
342.1171
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME209423
439186
-
0.72
342.1171
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME209426
440658
-
0.72
342.1171
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME209459
439559
-
0.72
342.1171
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME209496
5988
-
0.72
342.1171
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
2-Deoxy-glucose
ME209235
439268
-
0.722
164.0691
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
Rhamnose
ME209406
25310
-
0.722
164.0691
STACHYOSE (CAS# 54261-98-2); (M+CL)-
Stachyose
ME209492
439531
-
0.722
666.2181
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O]
Oxaloacetic acid
ME209457
970
-
0.726
132.0058
GLYCERATE (CAS# 473-81-4); (M-H)-
Glyceric acid
ME209372
439194
-
0.73
106.027
GLYOXYLATE (CAS# 298-12-4); (M-H)-
Glyoxylic acid
ME209377
760
-
0.733
74.001
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME209319
66308
-
0.734
150.0524
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME209362
10690
-
0.734
196.0584
L-GULONATE (CAS# 6322-07-2); (M-H)-
Gulonic acid
ME209402
152304
-
0.734
196.0584
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
sn-Glycero-2-phosphate
ME209373
2526
-
0.738
172.013
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+CL)-
N1-Acetylspermine
ME209448
916
-
0.742
244.2279
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-
Ribose 5-phosphate
ME209484
439167
-
0.75
230.0199
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME209360
33037
-
0.757
210.039
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME209392
5318532
-
0.757
192.0274
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-
3-Phosphoglyceric acid
ME209256
439183
-
0.759
185.9915
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-
Glucuronic acid
ME209366
94715
-
0.779
194.0441
OROTATE (CAS# 65-86-1); (M-H)-
Orotic acid
ME209456
967
-
0.794
156.0163
LANTHIONINE (CAS# 3183-08-2); (M-H)-
Lanthionine
ME209412
102950
-
0.799
208.0536
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O]
Gulonic acid
ME209400
152304
-
0.802
196.06
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME209445
439197
-
0.802
309.1034
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
L-Dehydroascorbic acid
ME209329
210328
-
0.815
174.0169
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M-H)+
GMP
ME209380
6804
-
0.815
363.056
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME209525
135191
-
0.825
150.0521
GALACTARATE (CAS# 526-99-8); (M-H)-
Galactaric acid
ME209353
3037582
-
0.828
210.0362
GLUCARIC ACID (CAS# 87-73-0); (M-H)-
Glucaric acid
ME209361
33037
-
0.828
210.0362
NAD (CAS# 53-84-9); (M-H)-
NAD+
ME209449
5893
-
0.845
663.1084
INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)-
IDP
ME209391
6831
-
0.852
428.0153
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME209419
222656
-
0.852
134.0217
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+C...
CDP-choline
ME209318
13804
-
0.853
488.1082
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME209491
439285
-
0.871
257.1007
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-
Phosphocreatine
ME209469
9548602
-
0.874
211.0353
PYRUVATE (CAS# 127-17-3); (M-H)-
Pyruvic acid
ME209475
1060
-
0.874
88.0168
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052...
Nicotinamide purin-6-ol-dinucleotide
ME209451
440334
-
0.875
664.0878
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
4,5-Dihydroorotic acid
ME209224
1149667
-
0.877
158.0312
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
5-Aminopentanoic acid
ME209272
138
-
0.882
117.0782
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
AMP
ME209279
6083
-
0.883
347.0601
PICOLINIC ACID (CAS# 98-98-6); (M-H)-
Picolinic acid
ME209471
1018
-
0.898
123.0326
UROCANATE (CAS# 104-98-3); (M-H)-
Urocanic acid
ME209519
736715
-
0.901
138.0418
CYTIDINE (CAS# 65-46-3); (M+CL)-
Cytidine
ME209317
6175
-
0.905
243.0874
VALINE (CAS# 72-18-4); (M-H)-
Valine
ME209522
6287
-
0.921
117.0779
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-
2-Oxoglutaric acid
ME209285
51
-
0.947
146.0216
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-
Deoxycytidine
ME209334
13711
-
0.959
227.0889
NICOTINATE (CAS# 59-67-6); (M-H)-
Nicotinic acid
ME209452
938
-
0.973
123.0323
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
N-Acetylglycine
ME209444
1097
-
0.976
117.0427
DGMP (CAS# 902-04-5); (M-H)-
dGMP
ME209339
6994968
-
0.995
347.0607
DUMP (CAS# 964-26-1); (M-H)-
dUMP
ME209342
65063
-
1.005
308.0412
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-
Phosphoethanolamine
ME209348
1015
-
1.007
141.02
ROSMARINIC ACID (CAS# 20283-92-5); (M-H)-
Rosmarinic acid
ME209485
639655
-
10.085
360.0879
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME209420
444266
-
1.023
116.0118
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-
GMP
ME209381
6804
-
1.026
363.0577
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME209429
94214
-
1.032
194.0782
METHIONINE (CAS# 63-68-3); (M-H)-
Methionine
ME209428
6137
-
1.055
149.05
GUANINE (CAS# 73-40-5); (M-H)-
Guanine
ME209378
764
-
1.063
151.0483
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
UMP
ME209518
6030
-
1.063
324.0338
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME209312
311
-
1.065
192.0271
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-
L-Dehydroascorbic acid
ME209328
210328
-
1.078
174.0177
URATE (CAS# 69-93-2); (M-H)-
Uric acid
ME209514
1175
-
1.083
168.0282
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME209289
2266
-
10.85
188.1046
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME209316
15091
-
10.85
142.0987
CINNAMIC ACID (CAS# 140-10-3); (M-H)-
trans-Cinnamic acid
ME209305
444539
-
11.659
148.0515
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME209275
7405
-
1.168
129.0424
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME209307
643757
-
1.196
174.0165
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME209507
444212
-
1.196
174.0165
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+CL)-
N-Nitrosodiethanolamine
ME209446
14223
-
1.21
134.0693
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-
Oxoadipic acid
ME209242
71
-
1.231
160.0365
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME209510
14925
-
1.246
176.032
EDTA (CAS# 60-00-4); (M-H)-
Edetic acid
ME209343
6049
-
1.27
292.091
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME209489
5192
-
12.896
202.12
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME209352
444972
-
1.305
116.0114
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
Jasmonic acid
ME209395
5281166
-
13.265
210.1241
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
Jasmonic acid
ME209396
5281166
-
13.265
210.1256
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME209495
1110
-
1.364
118.0267
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-
10-Hydroxydecanoic acid
ME209227
6991989
-
13.666
188.1398
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME209431
487
-
1.388
118.0267
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME209509
14925
-
1.388
176.0321
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME209513
6057
-
1.392
181.0734
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME209517
6029
-
1.409
244.0688
URIDINE (CAS# 58-96-8); (M+HCOO)-
Uridine
ME209516
6029
-
1.41
244.0673
URIDINE (CAS# 58-96-8); (M+CL)-
Uridine
ME209515
6029
-
1.415
244.0697
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Glutathione
ME209370
124886
-
1.417
612.1498
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Oxidized glutathione
ME209458
65359
-
1.417
612.1498
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
S-Adenosylhomocysteine
ME209486
439155
-
1.429
384.1242
PURINE (CAS# 120-73-0); (M-H)-
Purine
ME209474
1044
-
1.431
120.0436
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME209311
441696
-
1.433
148.0369
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-
11-Deoxycortisol
ME209229
440707
-
15.508
346.214
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
Corticosterone
ME209315
5753
-
15.508
346.214
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-
11-Deoxycortisol
ME209228
440707
-
15.509
346.2139
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-
Corticosterone
ME209314
5753
-
15.509
346.2139
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME209439
88064
-
1.559
131.0578
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)-
Deoxyguanosine
ME209234
187790
-
1.605
267.0992
2-HYDROXYBUTYRATE (CAS# ); (M-H)-
2-Hydroxybutyric acid
ME209239
11266
-
1.605
104.0474
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...
2-Hydroxyisobutyric acid
ME209284
440873
-
1.605
104.0474
GUANOSINE (CAS# 118-00-3); (M+CL)-
Guanosine
ME209379
6802
-
1.613
283.0937
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-
5-Valerolactone
ME209276
10953
-
1.621
100.052
THYROXINE (CAS# 51-48-9); (M-H)-
Thyroxine
ME209506
5819
-
16.278
776.6843
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME209283
439507
-
1.634
180.0641
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME209393
6306
-
1.637
131.0941
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME209414
6106
-
1.637
131.0941
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME209247
1662
-
1.641
162.0524
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME209371
79014
-
1.641
90.0313
INOSINE (CAS# 58-63-9); (M+CL)-
Inosine
ME209389
6021
-
1.663
268.0833
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME209453
21236
-
1.665
131.0942
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-
TXB2
ME209500
5283137
-
16.672
370.2321
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
Deoxyuridine
ME209336
13712
-
1.684
228.0748
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
TXB2
ME209501
5283137
-
16.876
370.232
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-
PGE2
ME209473
5280360
-
16.89
352.2218
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H...
12-Hydroxy lauric acid
ME209455
79034
-
17.13
216.1715
DEOXYURIDINE (CAS# 951-78-0); (M-H)-
Deoxyuridine
ME209338
13712
-
1.726
228.0731
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
Deoxyuridine
ME209337
13712
-
1.743
228.0725
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME209394
811
-
1.783
130.0268
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-
5-Hydroxy-tryptophan
ME209273
439280
-
1.83
220.0835
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-
Deoxyadenosine
ME209330
13730
-
1.85
251.1023
THYMINE (CAS# 65-71-4); (M-H)-
Thymine
ME209505
1135
-
1.853
126.0434
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME209390
6021
-
1.882
268.08
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-
4-Acetamidobutanoic acid
ME209258
18189
-
1.885
145.0727
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
Glycocholic acid
ME209376
10140
-
18.942
465.3089
GLYCOCHOLATE (CAS# 475-31-0); (2M-H)-
Glycocholic acid
ME209375
10140
-
18.947
465.3045
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
4-Pyridoxic acid
ME209269
6723
-
1.953
183.0529
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME209346
115196
-
19.887
480.345
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME209345
115196
-
19.888
480.345
DECANOATE (CAS# 334-48-5); (M-H)-
Capric acid
ME209326
2969
-
19.922
172.1458
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME209241
643798
-
1.999
130.0268
CHOLATE (CAS# 81-25-4); (2M-H)-
Cholic acid
ME209302
221493
-
20.417
408.2873
CHOLATE (CAS# 81-25-4); (M-H)-
Cholic acid
ME209304
221493
-
20.417
408.2875
CHOLATE (CAS# 81-25-4); (M+CL)-
Cholic acid
ME209303
221493
-
20.418
408.287
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-
LTB4
ME209415
5280492
-
20.649
336.2293
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)-
3-Methoxytyrosine
ME209252
9307
-
2.08
211.0824
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME209257
92787
-
20.826
318.2584
DIACETYL (CAS# 431-03-8); (M+HCOO)-
Diacetyl
ME209340
650
-
2.102
86.0364
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
gamma-Butyrolactone
ME209355
7302
-
2.102
86.0364
GLUTARATE (CAS# 110-94-1); (M-H)-
Glutaric acid
ME209369
743
-
2.103
132.0419
URSODIOL (CAS# 128-13-2); (M+HCOO)-
Ursodeoxycholic acid
ME209520
31401
-
21.646
392.2922
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)-
Deoxycholic acid
ME209331
222528
-
21.716
392.2908
URSODIOL (CAS# 128-13-2); (M-H)-
Ursodeoxycholic acid
ME209521
31401
-
21.735
392.2898
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME209333
222528
-
21.751
392.2898
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-
Deoxycholic acid
ME209332
222528
-
21.752
392.2926
LAURIC ACID (CAS# 143-07-7); (M-H)-
Lauric acid
ME209413
3893
-
21.821
200.1769
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME209434
5281119
-
22.077
226.1929
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCO...
MG 14:0
ME209477
79050
-
22.192
302.2446
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...
MG 14:0
ME209476
79050
-
22.223
302.2471
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME209231
460602
-
22.244
495.3322
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
LPC 16:0
ME209230
460602
-
22.246
495.3344
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-
N-Oleoyl glycine
ME209447
6436908
-
22.253
339.275
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME209479
444795
-
22.339
300.2119
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME209433
11005
-
22.498
228.2081
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME209462
445638
-
22.624
254.2243
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME209233
9547068
-
22.713
481.3158
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME209341
445580
-
22.728
328.2402
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME209288
444899
-
22.738
304.2402
KYNURENINE (CAS# 343-65-7); (M-H)-
Kynurenine
ME209397
161166
-
2.274
208.0829
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME209417
5280450
-
22.761
280.2403
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-
1-Methyluric acid
ME209226
69726
-
2.279
182.0429
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-
LPC 20:0
ME209243
24779473
-
22.818
551.3932
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME209386
5283820
-
22.856
392.2946
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME209299
46891735
-
22.874
643.5019
BETA-CAROTENE (CAS# 7235-40-7); (M-H)-
beta-Carotene
ME209294
5280489
-
22.875
536.4329
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME209461
985
-
22.887
256.2401
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME209286
5280934
-
22.888
278.2219
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME209356
5280933
-
22.888
278.2219
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME209308
5282761
-
22.964
282.2559
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME209344
637517
-
22.964
282.2559
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME209454
445639
-
22.964
282.2559
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME209508
5281127
-
22.964
282.2559
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME209382
10465
-
23.039
270.2547
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
LPC 20:0
ME209244
24779473
-
23.075
551.3983
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME209493
5281
-
23.222
284.2711
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME209306
5282768
-
23.29
310.2865
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME209287
10467
-
23.484
312.3011
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME209523
64959
-
2.349
284.0744
ERUCIC ACID (CAS# 112-86-7); (M-H)-
cis-Erucic acid
ME209347
5281116
-
23.525
338.3177
BEHENIC ACID (CAS# 112-85-6); (M-H)-
Behenic acid
ME209290
8215
-
24.119
340.3323
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-
Paracetamol sulfate
ME209259
83939
-
2.42
231.0202
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME209450
5281120
-
24.203
366.3487
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
Tricosylic acid
ME209511
17085
-
24.415
354.3466
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME209416
11197
-
24.779
368.3639
CATECHOL (CAS# 120-80-9); (M-H)-
Pyrocatechol
ME209300
289
-
2.509
110.0368
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
PC 16:0_18:0
ME209232
18631368
-
25.224
761.5999
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
Cerotic acid
ME209383
10469
-
25.658
396.3961
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-
Nitrotyrosine
ME209255
65124
-
2.59
226.0593
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME209467
6140
-
2.59
165.0787
ACETOACETATE (CAS# 541-50-4); (M-H)-
Acetoacetic acid
ME209278
96
-
2.753
102.0321
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME209349
11756
-
2.774
132.0418
THYMIDINE (CAS# 50-89-5); (M+CL)-
Thymidine
ME209502
5789
-
2.785
242.0901
THYMIDINE (CAS# 50-89-5); (M+HCOO)-
Thymidine
ME209503
5789
-
2.802
242.0898
THYMIDINE (CAS# 50-89-5); (M-H)-
Thymidine
ME209504
5789
-
2.826
242.0895
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME209464
6613
-
3.321
219.1104
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
1-Methyladenosine
ME209225
27476
-
3.329
281.1106
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME209463
6613
-
3.336
219.1099
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME209238
11427
-
3.429
150.0355
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME209237
853180
-
3.556
118.0629
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME209240
12046
-
3.648
146.0579
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME209253
12284
-
3.648
146.0579
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME209281
196
-
3.648
146.0579
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME209432
73917
-
3.648
146.0579
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-
N-Acetylcysteine
ME209440
12035
-
3.697
324.0451
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME209408
16217285
-
3.716
206.0847
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
Tryptophan
ME209512
6305
-
3.717
204.0886
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-
5-Methyl-THF
ME209274
9825434
-
3.763
459.1846
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME209246
9378
-
3.801
182.0574
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME209465
999
-
3.801
136.0521
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME209309
688597
-
3.973
219.112
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME209310
688597
-
3.973
219.112
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME209526
449093
-
3.973
219.112
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME209527
449093
-
3.973
219.112
PHENYL ACETATE (CAS# 122-79-2); (M-H)-
Phenyl acetate
ME209466
999
-
3.979
136.0514
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME209438
448580
-
4.145
191.0603
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
4-Hydroxybenzoic acid
ME209263
135
-
4.181
138.031
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME209223
47
-
4.396
130.063
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME209270
439176
-
4.538
297.0902
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME209271
439176
-
4.575
297.0907
XANTHURENIC ACID (CAS# 59-00-7); (M-H)-
Xanthurenic acid
ME209524
5699
-
4.6
205.0361
BOC-LYS-OH (CAS# 13734-28-6); (M-H)-
-
ME209298
2733284
-
4.731
246.1589
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-
4-Hydroxyphenyl acetate
ME209264
127
-
4.777
152.0478
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-
Benzaldehyde
ME209291
240
-
4.778
106.0423
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME209265
70
-
4.801
130.063
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME209266
70
-
4.801
130.063
HIPPURATE (CAS# 495-69-2); (M-H)-
Hippuric acid
ME209384
464
-
4.892
179.058
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME209261
3845
-
5.03
189.041
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-
3-Hydroxybenzaldehyde
ME209248
101
-
5.06
122.0379
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-
4-Hydroxybenzaldehyde
ME209262
126
-
5.06
122.0379
BENZOATE (CAS# 65-85-0); (M-H)-
Benzoic acid
ME209292
243
-
5.06
122.0379
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)-
3-Hydroxybenzoic acid
ME209249
7420
-
5.154
138.0309
PHTHALATE (CAS# 88-99-3); (M-H)-
Phthalic acid
ME209470
1017
-
5.336
166.0269
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-
Phenylpyruvic acid
ME209468
997
-
5.434
164.048
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME209409
227
-
5.458
138.0444
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-
4-Nitrocatechol
ME209267
3505109
-
5.497
155.0215
HOMOVANILLATE (CAS# 306-08-1); (M-H)-
Homovanillic acid
ME209385
1738
-
5.746
182.0563
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
3-Methyladipic acid
ME209254
12292
-
5.772
160.0732
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
Pimelic acid
ME209277
385
-
5.772
160.0732
TEREPHTHALATE (CAS# 100-21-0); (M-H)-
Terephthalic acid
ME209499
7489
-
5.941
166.0262
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME209425
11914
-
5.992
152.0464
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-
Salicyluric acid
ME209488
10253
-
6.327
195.053
BIOTIN (CAS# 58-85-5); (M-H)-
Biotin
ME209297
11966127
-
6.35
244.0894
4-COUMARATE (CAS# 501-98-4); (M-H)-
cis-p-Coumaric acid
ME209260
637542
-
7.058
164.0468
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME209268
980
-
7.174
139.0268
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
N-Acetylleucine
ME209441
75619
-
7.281
173.1048
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
Riboflavin
ME209481
493570
-
7.706
376.1396
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-
Riboflavin
ME209480
493570
-
7.71
376.1409
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME209482
493570
-
7.711
376.1419
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
N-Acetylphenylalanine
ME209442
74839
-
7.823
207.0882
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-...
3-(2-Hydroxyphenyl)propanoic acid
ME209245
873
-
7.967
166.0617
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-
N-Acetyl-D-tryptophan
ME209437
439917
-
8.067
246.0998
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3-Hydroxyphenylacetic acid
ME209250
12122
-
8.311
152.0465
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME209494
10457
-
8.378
174.0884
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME209487
338
-
8.399
138.0314
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-
Indoleacetic acid
ME209388
802
-
8.511
175.0629
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME209357
6466
-
8.601
346.1405
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME209359
6466
-
8.601
346.1415
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME209358
6466
-
8.602
346.1418
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME209763
1102
-
0.527
145.1576
HISTAMINE (CAS# 51-45-6); (M+H)+
Histamine
ME209668
774
-
0.556
111.0801
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME209695
5962
-
0.565
146.1054
D-ORNITHINE (CAS# 348-66-3); (M+H)+
D-Ornithine
ME209627
6262
-
0.569
132.0903
L-ORNITHINE (CAS# 70-26-8); (M+H)+
Ornithine
ME209687
6262
-
0.569
132.0903
LYSINE (CAS# 56-87-1); (M+NA)+
Lysine
ME209696
5962
-
0.584
146.1049
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME209650
5961
-
0.652
146.0693
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME209703
892
-
0.663
180.0634
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME209786
6287
-
0.666
117.079
EPINEPHRINE (CAS# 51-43-4); (M+H)+
Epinephrine
ME209644
5816
-
0.672
183.0879
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME209620
9750
-
0.678
175.0957
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME209600
247
-
0.683
117.0789
CHOLINE (CAS# 62-49-7); M+
Choline
ME209613
305
-
0.69
104.1078
PIPECOLATE (CAS# 535-75-1); (M+H)+
Pipecolic acid
ME209744
849
-
0.699
129.079
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME209648
5793
-
0.711
180.0634
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+
3-Dehydroxycarnitine
ME209555
725
-
0.718
145.1091
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+
2-Deoxy-glucose
ME209542
439268
-
0.729
164.0691
RAFFINOSE (CAS# 512-69-6); (M+NA)+
Raffinose
ME209754
439242
-
0.739
504.1719
L-CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME209686
10917
-
0.755
161.1051
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME209599
247
-
0.761
117.0792
CYTOSINE (CAS# 71-30-7); (M+H)+
Cytosine
ME209625
597
-
0.761
111.0437
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME209720
5570
-
0.776
137.0468
PROLINE (CAS# 147-85-3); (M+NA)+
Proline
ME209747
145742
-
0.781
115.0642
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+
5-Methylcytosine
ME209578
65040
-
0.782
125.0597
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME209746
145742
-
0.784
115.0632
L-ARGININE (CAS# 74-79-3); (M+H)+
Arginine
ME209685
6322
-
0.785
174.1106
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME209622
586
-
0.792
131.0693
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME209577
138
-
0.798
117.0792
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME209771
1130
-
0.808
265.1118
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME209647
5984
-
0.827
180.0641
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+
Deoxycytidine
ME209634
13711
-
0.83
227.0902
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+
3-Methylhistidine
ME209704
64969
-
0.833
169.0853
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]
Epinephrine
ME209645
5816
-
0.836
183.0879
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+
Trimethylamine
ME209775
1146
-
0.848
59.074
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME209762
439285
-
0.861
257.1027
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME209684
99289
-
0.869
119.0585
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME209598
239
-
0.878
89.0478
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME209758
1088
-
0.878
89.0478
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]
Xi-Norepinephrine
ME209723
951
-
0.895
169.0723
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME209649
33032
-
0.898
147.0527
PIPECOLATE (CAS# 535-75-1); (M+NA)+
Pipecolic acid
ME209745
849
-
0.9
129.0798
CYTIDINE (CAS# 65-46-3); (M+H)+
Cytidine
ME209624
6175
-
0.901
243.0866
CYTIDINE (CAS# 65-46-3); (2M+H)+
Cytidine
ME209623
6175
-
0.902
243.0863
4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+
4-Guanidinobutanoic acid
ME209565
500
-
0.909
145.0863
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
Choline phosphate
ME209614
1014
-
0.913
183.0662
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME209785
6287
-
0.923
117.0792
ADENINE (CAS# 73-24-5); (M+H)+
Adenine
ME209587
190
-
0.926
135.0541
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME209726
65098
-
0.931
117.0792
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME209727
65098
-
0.934
117.0798
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME209772
6288
-
0.944
119.0582
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME209713
92907
-
0.96
188.1145
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME209547
9023
-
0.975
87.069
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
AMP
ME209590
6083
-
0.99
347.0604
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME209728
18230
-
0.99
203.1158
UROCANATE (CAS# 104-98-3); (M+H)+
Urocanic acid
ME209783
736715
-
0.992
138.0435
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+
Arabinose
ME209626
66308
-
0.997
150.0521
RIBOSE (CAS# 50-69-1); (M+NA)+
Ribose
ME209756
5779
-
0.997
150.0521
DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+
Deoxycytidine
ME209635
13711
-
1.003
227.0906
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME209759
617
-
1.009
105.0416
DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+
Deoxycytidine
ME209633
13711
-
1.011
227.0912
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME209707
65249
-
1.012
147.0533
NICOTINATE (CAS# 59-67-6); (M+H)+
Nicotinic acid
ME209722
938
-
1.016
123.0324
PICOLINIC ACID (CAS# 98-98-6); (M+H)+
Picolinic acid
ME209743
1018
-
1.016
123.0324
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+
N-Acetylaspartic acid
ME209709
65065
-
1.023
175.0471
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+
N-Acetylaspartic acid
ME209710
65065
-
1.023
175.0489
DGMP (CAS# 902-04-5); (M+H)+
dGMP
ME209637
6994968
-
1.026
347.0604
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME209663
764
-
1.034
151.0499
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME209698
6137
-
1.038
149.0511
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME209592
5950
-
1.044
89.0478
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (2M+H)+
Pyridoxal 5'-phosphate
ME209751
1051
-
1.044
247.0267
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME209619
311
-
1.05
192.0269
GUANINE (CAS# 73-40-5); (M+NA)+
Guanine
ME209664
764
-
1.059
151.05
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+
Phenylephrine
ME209739
6041
-
1.063
167.0935
URATE (CAS# 69-93-2); (M+H)+
Uric acid
ME209781
1175
-
1.07
168.0294
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME209530
5460234
-
1.084
101.0471
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME209596
2266
-
10.851
188.1058
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME209721
936
-
1.122
122.0475
EDTA (CAS# 60-00-4); (M+H)+
Edetic acid
ME209640
6049
-
1.136
292.0909
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]
Shikimic acid
ME209761
8742
-
1.164
174.0534
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O]
Bilirubin
ME209601
5280352
-
11.814
584.269
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O]
3-Dehydroshikimate
ME209554
439774
-
1.214
172.0377
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME209580
7405
-
1.218
129.043
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+
AMP
ME209589
6083
-
1.241
347.0631
EDTA (CAS# 60-00-4); (M+NA)+
Edetic acid
ME209641
6049
-
1.245
292.0909
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME209552
65083
-
1.27
153.0413
AHBA (CAS# 76045-71-1); (M+H)+
3-Amino-5-hydroxybenzoic acid
ME209591
127115
-
1.27
153.0413
PURINE (CAS# 120-73-0); (M+NA)+
Purine
ME209749
1044
-
1.279
120.0434
PYRIDOXAL (CAS# 66-72-8); (M+H)+
Pyridoxal
ME209750
1050
-
1.282
167.0569
METHYLMALONATE (CAS# 516-05-2); (M+NA)+
Methylmalonic acid
ME209700
487
-
1.284
118.0256
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
Ophthalmic acid
ME209730
7018721
-
1.307
289.1269
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+
Salsolinol
ME209529
7157331
-
1.318
179.0936
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
10-Hydroxydecanoic acid
ME209533
6991989
-
13.26
188.1396
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
Jasmonic acid
ME209681
5281166
-
13.28
210.1267
PURINE (CAS# 120-73-0); (M+H)+
Purine
ME209748
1044
-
1.342
120.0431
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME209705
185
-
1.346
189.0623
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME209779
6057
-
1.371
181.074
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME209780
6057
-
1.382
181.0741
GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Glutathione
ME209652
124886
-
1.402
612.1505
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Oxidized glutathione
ME209732
65359
-
1.402
612.1505
URIDINE (CAS# 58-96-8); (M+NA)+
Uridine
ME209782
6029
-
1.404
244.0674
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
Glutathione
ME209653
124886
-
1.418
612.149
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
Oxidized glutathione
ME209731
65359
-
1.418
612.149
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME209708
88064
-
1.437
131.058
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA...
3-Hydroxymethylglutaric acid
ME209556
1662
-
1.524
162.0535
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]
Allose
ME209593
439507
-
1.524
180.0635
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]
Glyceraldehyde
ME209654
79014
-
1.524
90.0318
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+
2-Hydroxybutyric acid
ME209544
11266
-
1.549
104.0473
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+
11-Deoxycortisol
ME209534
440707
-
15.497
346.2134
CORTICOSTERONE (CAS# 50-22-6); (M+H)+
Corticosterone
ME209621
5753
-
15.497
346.2134
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME209757
439155
-
1.579
384.1216
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME209680
6306
-
1.584
131.094
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME209691
6106
-
1.584
131.094
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME209699
5281929
-
16.046
224.141
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME209679
6306
-
1.644
131.0946
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME209690
6106
-
1.644
131.0946
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+
beta-Estradiol
ME209646
5757
-
16.542
272.1803
CITRAMALATE (CAS# 2306-22-1); (M+H)+
Citramalic acid
ME209618
441696
-
1.658
148.0371
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME209724
21236
-
1.662
131.0946
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME209665
6802
-
1.706
283.0924
INOSINE (CAS# 58-63-9); (M+H)+
Inosine
ME209677
6021
-
1.714
268.0803
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+
2-Hydroxyphenethylamine
ME209740
1000
-
1.729
137.0835
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+
Mevalonic acid
ME209701
439230
-
1.794
148.0731
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+
Taurocholic acid
ME209767
6675
-
18.251
515.2938
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME209553
64956
-
1.827
103.0635
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME209541
187790
-
1.839
267.0964
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME209588
60961
-
1.839
267.0964
(-)-COTININE (CAS# 486-56-6); (M+H)+
Cotinine
ME209528
854019
-
1.841
176.0951
SEROTONIN (CAS# 50-67-9); (M+H)+
Serotonin
ME209760
5202
-
1.841
176.0951
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+
Glycocholic acid
ME209661
10140
-
18.53
465.3113
INOSINE (CAS# 58-63-9); (M+NA)+
Inosine
ME209678
6021
-
1.862
268.0824
GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+
Glycocholic acid
ME209658
10140
-
18.924
465.3091
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+
Glycocholic acid
ME209659
10140
-
18.924
465.305
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]
Glycocholic acid
ME209660
10140
-
18.929
465.3058
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+
4-Pyridoxic acid
ME209573
6723
-
1.947
183.0524
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME209564
18189
-
1.949
145.0743
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]
4-Pyridoxic acid
ME209572
6723
-
1.951
183.0544
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+
N-Methyl-glutamic acid
ME209717
439377
-
1.953
161.0691
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+
4-Pyridoxic acid
ME209571
6723
-
1.954
183.0514
TRIBUTYRIN (CAS# 60-01-5); (M+NA)+
TG 4:0/4:0/4:0
ME209774
6050
-
19.553
302.1732
BENZYLAMINE (CAS# 100-46-9); (M+H)+
Benzylamine
ME209597
7504
-
1.969
107.0726
N-METHYLANILINE (CAS# 100-61-8); (M+H)+
N-Methylaniline
ME209719
7515
-
1.969
107.0726
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2...
N-Methyl-glutamic acid
ME209718
439377
-
1.969
161.0697
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+
Taurochenodeoxycholic acid
ME209766
387316
-
20.143
499.2969
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+
Hyodeoxycholic acid
ME209672
5283820
-
20.206
392.2907
CHOLATE (CAS# 81-25-4); (2M+H)+
Cholic acid
ME209608
221493
-
20.407
408.2878
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O]
Cholic acid
ME209609
221493
-
20.408
408.2872
CHOLATE (CAS# 81-25-4); (2M+NA)+
Cholic acid
ME209610
221493
-
20.408
408.2877
CHOLATE (CAS# 81-25-4); (M+NA)+
Cholic acid
ME209611
221493
-
20.413
408.2879
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
Glycochenodeoxycholic acid
ME209657
9548796
-
20.425
449.3134
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...
Glycochenodeoxycholic acid
ME209656
9548796
-
20.521
449.3112
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+
3-Methoxytyrosine
ME209559
9307
-
2.071
211.0854
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+
Glycochenodeoxycholic acid
ME209655
9548796
-
20.733
449.3097
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME209692
5280492
-
20.833
336.2272
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+
Deoxycholic acid
ME209631
222528
-
21.279
392.2951
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME209733
11953816
-
21.449
399.334
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+
5-Valerolactone
ME209581
10953
-
2.155
100.0521
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+
Taurolithocholic acid
ME209768
439763
-
21.713
483.3051
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+
Deoxycholic acid
ME209630
222528
-
21.745
392.2918
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
Deoxycholic acid
ME209632
222528
-
21.745
392.2921
URSODIOL (CAS# 128-13-2); (M+NA)+
Ursodeoxycholic acid
ME209784
31401
-
21.745
392.2921
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME209682
161166
-
2.201
208.0847
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+
Homogentisic acid
ME209670
780
-
2.215
168.0407
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME209535
460602
-
22.235
495.3324
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME209694
9903
-
22.323
376.2983
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME209536
460602
-
22.358
495.3329
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME209729
445639
-
22.585
282.2557
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+
LPE 18:0
ME209539
9547068
-
22.602
481.3184
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
LPE 18:0
ME209540
9547068
-
22.718
481.3159
KYNURENINE (CAS# 343-65-7); (M+NA)+
Kynurenine
ME209683
161166
-
2.273
208.0852
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME209532
5283468
-
22.736
356.2932
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+
cis-Vaccenic acid
ME209616
5282761
-
22.757
282.2578
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME209643
637517
-
22.799
282.2568
HOMOGENTISATE (CAS# 451-13-8); (M+H)+
Homogentisic acid
ME209669
780
-
2.28
168.0407
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME209629
2969
-
22.856
172.1448
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+
cis-Vaccenic acid
ME209615
5282761
-
22.96
282.2555
ELAIDIC ACID (CAS# 112-79-8); (M+H)+
Elaidic acid
ME209642
637517
-
22.96
282.2555
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME209548
24779473
-
23.111
551.3989
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
Bis(2-ethylhexyl)phthalate
ME209602
8343
-
23.135
390.2787
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME209603
8343
-
23.136
390.2776
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME209605
46891735
-
23.205
643.4967
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+
3-Methylxanthine
ME209563
70639
-
2.328
166.0483
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME209787
64959
-
2.337
284.0769
XANTHOSINE (CAS# 146-80-5); (M+NA)+
Xanthosine
ME209788
64959
-
2.342
284.076
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME209604
46891735
-
23.488
643.5012
GLUTARATE (CAS# 110-94-1); (M+NA)+[-H2O]
Glutaric acid
ME209651
743
-
2.358
132.0422
LANOSTEROL (CAS# 79-63-0); (M+NA)+
Lanosterol
ME209689
246983
-
23.967
426.3846
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+
4-Methylcatechol
ME209570
9958
-
2.411
124.0513
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]
Desmosterol
ME209636
439577
-
24.176
384.337
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME209673
800
-
2.438
159.0695
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+
alpha-Tocopherol
ME209594
14985
-
24.517
430.3796
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME209582
65728
-
24.629
386.3548
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME209612
5997
-
24.629
386.3548
SQUALENE (CAS# 111-02-4); (M+K)+
Squalene
ME209764
5280370
-
24.644
410.3941
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME209737
6140
-
2.561
165.0776
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+
Tryptophanamide
ME209778
439356
-
2.57
203.1045
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME209738
6140
-
2.571
165.0779
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+
PC 16:0_18:0
ME209537
18631368
-
25.745
761.5876
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
PC 16:0_18:0
ME209538
18631368
-
25.749
761.5977
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+
3-Methyl-2-butenal
ME209561
61020
-
2.581
84.058
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...
Vanylglycol
ME209567
688030
-
2.584
184.0733
ACETOACETATE (CAS# 541-50-4); (M+H)+
Acetoacetic acid
ME209586
96
-
2.584
102.0313
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+
Citraconic acid
ME209546
643798
-
2.59
130.0259
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
Normetanephrine
ME209725
688100
-
2.626
183.0885
THYMIDINE (CAS# 50-89-5); (M+NA)+
Thymidine
ME209773
5789
-
2.815
242.0904
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
SM 18:1;O2/24:0
ME209549
44260127
-
28.179
814.6966
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME209531
27476
-
3.064
281.1146
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)...
Acetaminophen
ME209585
1983
-
3.076
151.063
CATECHOL (CAS# 120-80-9); (M+H)+
Pyrocatechol
ME209607
289
-
3.089
110.0365
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME209734
6613
-
3.325
219.1108
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME209735
6613
-
3.326
219.1107
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME209543
11427
-
3.45
150.036
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H...
2-Methylglutaric acid
ME209545
12046
-
3.519
146.0572
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2...
Monomethyl glutaric acid
ME209702
73917
-
3.52
146.0587
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O]
Methylglutaric acid
ME209560
12284
-
3.523
146.0572
THEOBROMINE (CAS# 83-67-0); (M+NA)+
Theobromine
ME209769
5429
-
3.53
180.0638
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME209584
160511
-
3.615
218.1046
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
Tryptophan
ME209776
6305
-
3.714
204.0887
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME209688
16217285
-
3.715
206.0853
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME209777
6305
-
3.716
204.0897
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+
5-Methyl-THF
ME209579
9825434
-
3.748
459.187
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...
Hydroxyphenyllactic acid
ME209551
9378
-
3.892
182.0574
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)...
Hydroxyphenyllactic acid
ME209550
9378
-
3.909
182.0565
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME209617
688597
-
3.97
219.1121
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME209789
449093
-
3.97
219.1121
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME209706
448580
-
4.141
191.0631
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME209736
4687
-
4.373
180.0648
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
Theophylline
ME209770
2153
-
4.407
180.0648
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME209575
439176
-
4.561
297.0919
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME209576
439176
-
4.562
297.0917
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+
4-Hydroxyphenyl acetate
ME209568
127
-
4.743
152.0462
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...
Ketoleucine
ME209569
70
-
4.791
130.0639
DIMETHYL MALEATE (CAS# 624-48-6); (M+NA)+
Dimethyl maleate
ME209639
5271565
-
4.846
144.0434
PHTHALATE (CAS# 88-99-3); (M+H)+
Phthalic acid
ME209741
1017
-
4.85
166.0255
HIPPURATE (CAS# 495-69-2); (M+H)+
Hippuric acid
ME209666
464
-
4.891
179.0599
HIPPURATE (CAS# 495-69-2); (M+NA)+
Hippuric acid
ME209667
464
-
4.891
179.0587
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O...
3-Hydroxybenzaldehyde
ME209557
101
-
4.893
122.0369
PHTHALATE (CAS# 88-99-3); (M+NA)+
Phthalic acid
ME209742
1017
-
4.898
166.0265
ANTHRANILATE (CAS# 118-92-3); (M+H)+
2-Aminobenzoic acid
ME209595
227
-
4.973
137.0472
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME209566
3845
-
5.032
189.0439
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+
4-Quinolinecarboxylic acid
ME209574
10243
-
5.064
173.0475
DEBRISOQUIN (CAS# 581-88-4); (M+H)+
Debrisoquine
ME209628
2966
-
5.073
175.1103
3-HYDROXYBENZYL ALCOHOL (CAS# 620-24-6); (M+H)+
3-Hydroxybenzyl alcohol
ME209558
102
-
5.372
124.0525
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA...
Tert-butoxycarbonyl anhydride
ME209638
90495
-
5.399
218.1151
CAFFEINE (CAS# 58-08-2); (M+NA)+
Caffeine
ME209606
2519
-
5.718
194.0811
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
Homovanillic acid
ME209671
1738
-
5.768
182.0569
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME209562
12292
-
5.787
160.0732
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME209583
385
-
5.789
160.0732
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+
N-Acetylleucine
ME209711
75619
-
7.248
173.1057
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME209712
75619
-
7.286
173.1054
LEVORPHANOL (CAS# 77-07-6); (M+H)+
Levorphanol
ME209693
5359272
-
7.425
257.1763
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME209755
493570
-
7.712
376.1408
GUAIFENESIN (CAS# 93-14-1); (M+NA)+
Guaifenesin
ME209662
3516
-
7.777
198.091
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+
2-Hydroxyquinoline
ME209752
6038
-
7.871
145.0527
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+
2-Hydroxyquinoline
ME209753
6038
-
7.885
145.053
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME209716
13017
-
8.004
127.0996
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
N-Cyclohexylformamide
ME209715
13017
-
8.048
127.0995
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (2M+H)+
N-Cyclohexylformamide
ME209714
13017
-
8.201
127.0989
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME209765
10457
-
8.343
174.0909
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+
Indoleacetic acid
ME209674
802
-
8.512
175.063
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+
Indoleacetic acid
ME209675
802
-
8.513
175.0637
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+
Tryptophanol
ME209676
10685
-
8.655
161.0826
MELATONIN (CAS# 73-31-4); (M+NA)+
Melatonin
ME209697
896
-
8.689
232.1224
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