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Return to study ST000713 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
5-VALEROLACTONE (M+HCOO)-
5-Valerolactone
ME201285
10953
-
1.792
100.0522
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-
2-Hydroxyisobutyric acid
ME201288
440873
-
1.767
104.0472
GLYCERIC ACID (M-H)-
Glyceric acid
ME201323
439194
-
0.787
106.0268
MALEIC ACID (M-H)-
Maleic acid
ME201346
444266
-
1.056
116.0107
FUMARIC ACID (M-H)-
Fumaric acid
ME201317
444972
-
1.293
116.0111
N-ACETYLGLYCINE (M-H)-
N-Acetylglycine
ME201360
1097
-
0.952
117.0422
SUCCINIC ACID (M-H)-
Succinic acid
ME201389
1110
-
1.332
118.0265
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME201274
853180
-
3.435
118.0631
BENZOIC ACID #2 (M-H)-
Benzoic acid
ME201294
243
-
8.21
122.0366
BENZOIC ACID (M-H)-
Benzoic acid
ME201295
243
-
4.948
122.0369
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME201284
7405
-
1.202
129.0423
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME201357
88064
-
1.517
131.0576
ISOLEUCINE (M-H)-
Isoleucine
ME201338
6306
-
1.582
131.0945
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME201369
970
-
0.606
132.0035
GLUTARIC ACID (M-H)-
Glutaric acid
ME201321
743
-
2.043
132.0422
ETHYLMALONIC ACID (M-H)-
Ethylmalonic acid
ME201316
11756
-
2.732
132.0425
MALIC ACID (M-H)-
Malic acid
ME201348
222656
-
0.779
134.0215
MALIC ACID (M-H)+[-H2O]
Malic acid
ME201347
222656
-
0.762
134.0231
HYPOXANTHINE (M-H)-
Hypoxanthine
ME201331
790
-
1.165
136.038
SALICYLATE #2 (M-H)-
Salicylic acid
ME201383
338
-
8.119
138.0315
4-HYDROXYBENZOIC ACID (M-H)-
4-Hydroxybenzoic acid
ME201279
135
-
4.126
138.0317
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME201342
227
-
5.32
138.0445
4-NITROPHENOL (M-H)-
4-Nitrophenol
ME201280
980
-
7.015
139.0269
ADIPIC ACID (M-H)-
Adipic acid
ME201287
196
-
3.524
146.0578
GLUTAMINE (M-H)-
Glutamine
ME201320
5961
-
0.686
146.0685
CITRAMALIC ACID (M-H)-
Citramalic acid
ME201301
441696
-
1.394
148.0372
MEVALONIC ACID (M-H)-
Mevalonic acid
ME201352
439230
-
1.573
148.0722
ACETAMINOPHEN (TN TYLENOL) (M-H)-
Acetaminophen
ME201286
1983
-
3.103
151.0629
XANTHINE (M-H)-
Xanthine
ME201407
1188
-
1.335
152.0335
MANDELIC ACID (M-H)-
Mandelic acid
ME201350
11914
-
5.543
152.0469
MANDELIC ACID #2 (M-H)-
Mandelic acid
ME201349
11914
-
8.652
152.0473
L-HISTIDINE (M-H)-
Histidine
ME201340
6274
-
0.677
155.0693
OROTIC ACID (M-H)-
Orotic acid
ME201367
967
-
0.776
156.0153
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
3-Hydroxymethylglutaric acid
ME201277
1662
-
1.572
162.0522
PTERIN (M-H)-
Pterin
ME201377
73000
-
1.53
163.053
2-DEOXY-D-GLUCOSE (M+CL)-
2-Deoxy-glucose
ME201273
439268
-
0.752
164.07
PHENYLALANINE (M-H)-
Phenylalanine
ME201375
6140
-
2.495
165.0784
1-METHYLXANTHINE (M-H)-
1-Methylxanthine
ME201269
80220
-
2.508
166.0502
URIC ACID (M-H)-
Uric acid
ME201402
1175
-
1.074
168.0285
N-ACETYL-L-LEUCINE (M-H)-
N-Acetylleucine
ME201358
75619
-
7.055
173.1048
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME201395
444212
-
1.125
174.0166
DEHYDROASCORBIC ACID (M-H)-
Dehydroascorbic acid
ME201306
440667
-
0.808
174.0168
SUBERIC ACID (M-H)-
Suberic acid
ME201388
10457
-
8.168
174.0892
INDOLE-3-ACETIC ACID (M-H)-
Indoleacetic acid
ME201333
802
-
8.345
175.0624
TRICARBALLYLIC ACID (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME201397
14925
-
1.242
176.03
TRICARBALLYLIC ACID (M-H)-
1,2,3-Propanetricarboxylic acid
ME201396
14925
-
1.36
176.031
HIPPURIC ACID (M-H)-
Hippuric acid
ME201329
464
-
4.749
179.0583
GLUCOSE (M+CL)-
Glucose
ME201319
5793
-
0.721
180.064
THEOPHYLLINE (M-H)-
Theophylline
ME201391
2153
-
4.441
180.0646
TYROSINE (M-H)-
Tyrosine
ME201401
6057
-
1.373
181.0741
1-METHYLURIC ACID (M-H)-
1-Methyluric acid
ME201268
69726
-
2.213
182.0447
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME201276
440177
-
3.796
182.0579
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-
Hydroxyphenyllactic acid
ME201275
440177
-
3.663
182.0581
4-PYRIDOXIC ACID (M-H)-
4-Pyridoxic acid
ME201281
6723
-
1.902
183.0523
AZELAIC ACID (M-H)-
Azelaic acid
ME201292
2266
-
10.671
188.1046
KYNURENIC ACID (M-H)-
Kynurenic acid
ME201339
3845
-
4.932
189.0408
N-ACETYL-DL-METHIONINE (M-H)-
N-Acetylmethionine
ME201356
448580
-
4.004
191.0608
ISOCITRIC ACID (M-H)-
Isocitric acid
ME201337
5318532
-
0.787
192.0272
CITRIC ACID (M-H)-
Citric acid
ME201302
311
-
1.06
192.0278
QUINIC ACID (M-H)-
Quinic acid
ME201379
6508
-
0.744
192.0617
METHYL BETA-D-GALACTOSIDE (M+CL)-
Methyl beta-D-galactoside
ME201351
94214
-
0.812
194.0787
SALICYLURIC ACID (M-H)-
Salicyluric acid
ME201384
10253
-
6.15
195.0532
GLUCONIC ACID (M-H)-
Gluconic acid
ME201318
10690
-
0.754
196.0583
LAURIC ACID (M-H)-
Lauric acid
ME201343
3893
-
21.781
200.1777
SEBACIC ACID (M-H)-
Sebacic acid
ME201385
5192
-
12.914
202.1204
TRYPTOPHAN (M-H)-
Tryptophan
ME201400
6305
-
3.622
204.0866
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME201341
16217285
-
3.62
206.0841
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME201359
74839
-
7.633
207.0898
TRIDECANOIC ACID (M-H)-
Tridecylic acid
ME201399
12530
-
22.161
214.1936
O-SUCCINYL-L-HOMOSERINE (M-H)-
o-Succinylhomoserine
ME201363
439406
-
0.938
219.0739
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME201374
6613
-
3.222
219.1104
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME201409
449093
-
3.928
219.1119
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME201410
449093
-
3.927
219.112
5-HYDROXYTRYPTOPHAN (M-H)-
5-Hydroxy-tryptophan
ME201283
439280
-
1.778
220.0822
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME201354
5281119
-
22.136
226.1929
DEOXYURIDINE (M+HCOO)-
Deoxyuridine
ME201311
13712
-
1.545
228.0737
DEOXYURIDINE (M+CL)-
Deoxyuridine
ME201310
13712
-
1.64
228.0744
MYRISTIC ACID (M-H)-
Myristic acid
ME201353
11005
-
22.487
228.209
NAPROXEN (M-H)-
Naproxen
ME201361
156391
-
15.723
230.0939
4-ACETAMINOPHEN SULFATE (M-H)-
Paracetamol sulfate
ME201278
83939
-
2.411
231.0202
IBUPROFEN CARBOXYLIC ACID (M-H)-
-
ME201332
10444113
-
12.97
236.1041
THYMIDINE (M-H)-
Thymidine
ME201394
5789
-
2.739
242.0892
THYMIDINE (M+HCOO)-
Thymidine
ME201393
5789
-
2.751
242.0909
THYMIDINE (M+CL)-
Thymidine
ME201392
5789
-
2.711
242.0916
URIDINE (M-H)-
Uridine
ME201404
6029
-
1.395
244.0692
URIDINE (M+CL)-
Uridine
ME201403
6029
-
1.374
244.0697
N-ACETYL-D-TRYPTOPHAN (M-H)-
N-Acetyl-D-tryptophan
ME201355
439917
-
7.908
246.1011
DEOXYADENOSINE (M+CL)-
Deoxyadenosine
ME201307
13730
-
1.802
251.0988
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME201373
445638
-
22.618
254.225
PALMITIC ACID (M-H)-
Palmitic acid
ME201372
985
-
22.888
256.241
INOSINE (M-H)-
Inosine
ME201334
6021
-
1.842
268.0806
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME201327
10465
-
23.049
270.256
ALPHA-LINOLENIC ACID (M+HCOO)-
alpha-Linolenic acid
ME201289
5280934
-
22.889
278.2221
LINOLEIC ACID (M-H)-
Linoleic acid
ME201345
5280450
-
22.764
280.2409
OLEIC ACID (M-H)-
Oleic acid
ME201364
445639
-
22.966
282.2566
XANTHOSINE (M-H)-
Xanthosine
ME201408
64959
-
2.299
284.0763
STEARIC ACID (M-H)-
Stearic acid
ME201387
5281
-
23.221
284.2722
EDTA (M-H)-
Edetic acid
ME201313
6049
-
1.228
292.0899
5'-METHYLTHIOADENOSINE (M+CL)-
5'-Methylthioadenosine
ME201282
439176
-
4.482
297.0902
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME201291
444899
-
22.745
304.241
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME201300
5282768
-
23.285
310.2869
PHYTANIC ACID (M-H)-
Phytanic acid
ME201376
10380830
-
23.302
312.302
ARACHIDIC ACID (M-H)-
Arachidic acid
ME201290
10467
-
23.616
312.3025
URIDINE-5-MONOPHOSPHATE #2 (M-H)-
UMP
ME201405
6030
-
0.858
324.0284
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)-
p-Acetamidophenylglucuronide
ME201370
83944
-
2.297
327.0944
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-
p-Acetamidophenylglucuronide
ME201371
83944
-
2.288
327.0957
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME201312
445580
-
22.732
328.2412
ERUCIC ACID (M-H)-
cis-Erucic acid
ME201315
5281116
-
23.682
338.3187
BEHENIC ACID (M-H)-
Behenic acid
ME201293
8215
-
24.1
340.334
SUCROSE (M+CL)-
Sucrose
ME201390
5988
-
0.74
342.1176
CORTICOSTERONE (M+HCOO)-
Corticosterone
ME201303
5753
-
15.365
346.2142
INOSINE 5'-PHOSPHATE (M-H)-
IMP
ME201336
8582
-
1.02
348.0433
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME201398
17085
-
24.395
354.3489
OLEOYL-GLYCEROL (M+HCOO)-
MG 18:1
ME201365
5319879
-
22.689
356.2927
CORTISONE (M+CL)-
Cortisone
ME201305
222786
-
13.342
360.1938
OMEPRAZOLE SULFONE (M-H)-
Omeprazole sulfone
ME201366
145900
-
12.286
361.1097
CORTISOL (M+CL)-
Cortisol
ME201304
5754
-
13.764
362.2094
NERVONIC ACID (M-H)-
Nervonic acid
ME201362
5281120
-
24.167
366.3499
LIGNOCERIC ACID (M-H)-
Lignoceric acid
ME201344
11197
-
24.745
368.3656
RIBOFLAVIN (M+HCOO)-
Riboflavin
ME201381
493570
-
7.625
376.1409
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME201382
439155
-
1.41
384.1314
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME201309
222528
-
21.707
392.2896
URSODIOL (M+HCOO)-
Ursodeoxycholic acid
ME201406
31401
-
21.61
392.2901
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME201330
5283820
-
22.872
392.2959
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME201308
222528
-
21.665
392.3062
HEXACOSANOIC ACID (M-H)-
Cerotic acid
ME201328
10469
-
25.598
396.397
CHOLIC ACID (M+CL)-
Cholic acid
ME201298
221493
-
20.279
408.2869
CHOLIC ACID (2M-H)-
Cholic acid
ME201297
221493
-
20.261
408.2889
CHOLIC ACID (M-H)-
Cholic acid
ME201299
221493
-
20.281
408.2903
INOSINE 5'-DIPHOSPHATE (M-H)-
IDP
ME201335
6831
-
0.793
428.0257
GLYCOLITHOCHOLIC ACID (M-H)-
Glycolithocholic acid
ME201326
115245
-
21.599
433.3189
GLYCOCHOLIC ACID (M-H)-
Glycocholic acid
ME201325
10140
-
18.819
465.309
GLYCOCHOLIC ACID (2M-H)-
Glycocholic acid
ME201324
10140
-
18.819
465.3103
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME201314
115196
-
19.792
480.346
18:0 LYSO-PE (M-H)-
LPE 18:0
ME201272
9547068
-
22.738
481.318
16:0 LYSO PC (M+HCOO)-
LPC 16:0
ME201271
460602
-
22.349
495.3334
16:0 LYSO PC (M+CL)-
LPC 16:0
ME201270
460602
-
22.381
495.3408
RAFFINOSE (M+CL)-
Raffinose
ME201380
439242
-
0.753
504.1689
BILIVERDIN (M-H)-
Biliverdin
ME201296
5280353
-
18.599
582.2494
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME201322
65359
-
1.369
612.1514
STACHYOSE (M+CL)-
Stachyose
ME201386
439531
-
0.753
666.2195
PYRUVIC ACID (M-H)-
Pyruvic acid
ME201378
1060
-
0.768
88.0168
OXALIC ACID (M-H)-
Oxalic acid
ME201368
971
-
0.693
89.9957
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+
1-Aminocyclopropanecarboxylic acid
ME201411
535
-
1.011
101.0455
3-AMINOISOBUTYRIC ACID (M+H)+
3-Aminoisobutanoic acid
ME201424
64956
-
1.766
103.0624
CHOLINE M+
Choline
ME201462
305
-
0.678
104.1073
PROLINE (M+H)+
Proline
ME201564
145742
-
0.62
115.0633
5-AMINOPENTANOIC ACID (M+H)+
5-Aminopentanoic acid
ME201434
138
-
0.829
117.0766
VALINE (M+NA)+
Valine
ME201598
6287
-
0.895
117.077
VALINE (M+H)+
Valine
ME201597
6287
-
0.924
117.0792
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
3-Hydroxybenzaldehyde
ME201426
101
-
4.693
122.0371
NICOTINAMIDE (M+H)+
Niacinamide
ME201543
936
-
1.136
122.0486
NICOTINIC ACID (M+H)+
Nicotinic acid
ME201544
938
-
0.952
123.0297
FLUCYTOSINE (M+H)+
Flucytosine
ME201489
3366
-
0.8
129.0331
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME201437
7405
-
1.185
129.0428
4-HYDROXY-L-PROLINE (M+H)+
cis-4-Hydroxyproline
ME201431
440015
-
0.764
131.0565
CREATINE (M+H)+
Creatine
ME201470
586
-
0.79
131.0686
ISOLEUCINE (M+NA)+
Isoleucine
ME201514
6306
-
1.523
131.0937
ISOLEUCINE (M+H)+
Isoleucine
ME201513
6306
-
1.546
131.0939
ETHYLMALONIC ACID (M+NA)+
Ethylmalonic acid
ME201488
11756
-
2.885
132.0434
ASPARAGINE (M+H)+
Asparagine
ME201446
6267
-
0.719
132.0542
ORNITHINE (M+H)+
Ornithine
ME201556
6262
-
0.572
132.0891
HYPOXANTHINE (M+NA)+
Hypoxanthine
ME201508
790
-
1.133
136.0377
HYPOXANTHINE (M+H)+
Hypoxanthine
ME201507
790
-
1.136
136.0388
UROCANIC ACID (M+H)+
Urocanic acid
ME201596
736715
-
0.991
138.0412
4-GUANIDINOBUTANOIC ACID (M+H)+
4-Guanidinobutanoic acid
ME201430
500
-
0.729
145.0908
SPERMIDINE (M+H)+
Spermidine
ME201574
1102
-
0.55
145.1576
ADIPIC ACID (M+NA)+
Adipic acid
ME201443
196
-
3.441
146.058
GLUTAMINE (M+NA)+
Glutamine
ME201492
5961
-
0.676
146.0681
LYSINE (M+NA)+
Lysine
ME201525
5962
-
0.589
146.105
LYSINE (M+H)+
Lysine
ME201524
5962
-
0.571
146.1056
N-ACETYL-DL-SERINE (M+H)+
N-Acetylserine
ME201534
65249
-
0.868
147.0526
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME201535
65249
-
0.892
147.0527
METHIONINE (M+H)+
Methionine
ME201526
6137
-
1.023
149.0503
ACETAMINOPHEN (TN TYLENOL) (M+H)+
Acetaminophen
ME201438
1983
-
3.053
151.0637
ACETAMINOPHEN (TN TYLENOL) (M+NA)+
Acetaminophen
ME201439
1983
-
3.05
151.0638
L-HISTIDINE (M+NA)+
Histidine
ME201520
6274
-
0.671
155.072
NONANOIC ACID (M+NA)+
Pelargonic acid
ME201545
8158
-
13.031
158.1314
3-METHYLADIPIC ACID (M+NA)+
3-Methyladipic acid
ME201427
12292
-
5.536
160.0738
CARNITINE (M+H)+
Carnitine
ME201454
10917
-
0.706
161.1012
2-DEOXY-D-GLUCOSE (M+NA)+
2-Deoxy-glucose
ME201420
439268
-
0.794
164.0662
PHENYLALANINE (M+H)+
Phenylalanine
ME201562
6140
-
2.574
165.0779
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME201413
80220
-
2.46
166.0484
3-METHYLXANTHINE (M+H)+
3-Methylxanthine
ME201428
70639
-
2.46
166.0528
URIC ACID (M+H)+
Uric acid
ME201593
1175
-
1.062
168.0283
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]
3-Dehydroshikimate
ME201425
439774
-
0.902
172.0373
DECANOIC ACID (2M+NA)+
Capric acid
ME201475
2969
-
22.784
172.1465
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+
4-Quinolinecarboxylic acid
ME201432
10243
-
4.904
173.0482
N-ACETYL-L-LEUCINE (M+H)+
N-Acetylleucine
ME201536
75619
-
6.993
173.1052
N-ACETYL-L-LEUCINE (M+NA)+
N-Acetylleucine
ME201537
75619
-
6.994
173.1058
SUBERIC ACID (M+H)+[-H2O]
Suberic acid
ME201575
10457
-
8.104
174.0877
SUBERIC ACID (M+NA)+
Suberic acid
ME201576
10457
-
8.102
174.0895
L-ARGININE (M+H)+
Arginine
ME201518
6322
-
0.663
174.1119
L-ARGININE (M+NA)+
Arginine
ME201519
6322
-
0.653
174.1126
INDOLE-3-ACETIC ACID (M+NA)+
Indoleacetic acid
ME201511
802
-
8.273
175.0636
INDOLE-3-ACETIC ACID (M+H)+
Indoleacetic acid
ME201510
802
-
8.272
175.0641
SEROTONIN (M+H)+
Serotonin
ME201572
5202
-
1.665
176.0954
SEROTONIN (M+NA)+
Serotonin
ME201573
5202
-
1.637
176.0964
HIPPURIC ACID (M+NA)+
Hippuric acid
ME201506
464
-
4.693
179.0587
HIPPURIC ACID (M+H)+
Hippuric acid
ME201505
464
-
4.694
179.0589
THEOBROMINE (M+NA)+
Theobromine
ME201582
5429
-
3.419
180.0631
GLUCOSE (M+NA)+
Glucose
ME201491
5793
-
0.676
180.0636
GLUCOSE (2M+NA)+
Glucose
ME201490
5793
-
0.674
180.0642
THEOBROMINE (M+H)+
Theobromine
ME201581
5429
-
3.461
180.0647
THEOPHYLLINE (M+H)+
Theophylline
ME201583
2153
-
4.401
180.0648
THEOPHYLLINE (M+NA)+
Theophylline
ME201584
2153
-
4.395
180.0648
TYROSINE (M+NA)+
Tyrosine
ME201592
6057
-
1.351
181.072
TYROSINE (M+H)+
Tyrosine
ME201591
6057
-
1.349
181.0741
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+
Hydroxyphenyllactic acid
ME201423
440177
-
3.757
182.0574
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME201463
1014
-
0.705
183.0663
EPINEPHRINE (M+H)+
Epinephrine
ME201487
5816
-
0.677
183.0871
AZELAIC ACID (M+H)+[-H2O]
Azelaic acid
ME201447
2266
-
10.604
188.105
AZELAIC ACID (M+NA)+
Azelaic acid
ME201448
2266
-
10.6
188.1054
KYNURENIC ACID (M+H)+
Kynurenic acid
ME201516
3845
-
4.875
189.0436
METHYL INDOLE-3-ACETATE (M+H)+
Indole-3-methyl acetate
ME201528
74706
-
11.53
189.0783
METHYL INDOLE-3-ACETATE (M+NA)+
Indole-3-methyl acetate
ME201529
74706
-
11.533
189.0794
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]
N-Acetylmethionine
ME201533
448580
-
3.974
191.0584
5-HYDROXYINDOLEACETIC ACID (M+H)+
5-Hydroxyindoleacetic acid
ME201435
1826
-
4.253
191.0631
CITRIC ACID (M+NA)+
Citric acid
ME201464
311
-
1.045
192.0261
METHYL BETA-D-GALACTOSIDE (M+NA)+
Methyl beta-D-galactoside
ME201527
94214
-
0.903
194.0785
CAFFEINE (M+H)+
Caffeine
ME201453
2519
-
5.868
194.0814
SEBACIC ACID (M+H)+[-H2O]
Sebacic acid
ME201570
5192
-
12.84
202.1207
SEBACIC ACID (M+NA)+
Sebacic acid
ME201571
5192
-
12.842
202.1222
ACETYLCARNITINE (M+H)+
CAR 2:0
ME201440
18230
-
0.99
203.1125
TRYPTOPHAN (M+H)+
Tryptophan
ME201589
6305
-
3.576
204.086
TRYPTOPHAN (M+NA)+
Tryptophan
ME201590
6305
-
3.549
204.0865
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME201521
16217285
-
3.578
206.0844
N-ACETYL-L-PHENYLALANINE (M+NA)+
N-Acetylphenylalanine
ME201539
74839
-
7.545
207.0906
N-ACETYL-L-PHENYLALANINE (M+H)+
N-Acetylphenylalanine
ME201538
74839
-
7.59
207.0921
KYNURENINE (M+H)+
Kynurenine
ME201517
161166
-
2.194
208.0846
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME201565
107738
-
1.67
217.1308
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME201560
6613
-
3.182
219.111
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME201561
6613
-
3.186
219.1111
5-HYDROXYTRYPTOPHAN (M+H)+
5-Hydroxy-tryptophan
ME201436
439280
-
1.768
220.0835
N-ACETYL-D-GLUCOSAMINE (M+NA)+
N-Acetylglucosamine
ME201530
446101
-
0.752
221.0867
CYSTATHIONINE (M+H)+[-H2O]
Cystathionine
ME201472
439258
-
0.682
222.0618
CYSTATHIONINE (M+NA)+
Cystathionine
ME201473
439258
-
0.703
222.0648
CYSTATHIONINE (M+H)+
Cystathionine
ME201471
439258
-
0.711
222.0668
CARNOSINE (M+H)+
Carnosine
ME201455
439224
-
0.753
226.1021
DEOXYURIDINE (M+NA)+
Deoxyuridine
ME201479
13712
-
1.659
228.0755
NAPROXEN (M+H)+
Naproxen
ME201541
156391
-
15.641
230.0941
NAPROXEN (M+NA)+
Naproxen
ME201542
156391
-
15.643
230.0944
4-ACETAMINOPHEN SULFATE (M+H)+
Paracetamol sulfate
ME201429
83939
-
2.302
231.0198
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME201512
168379
-
2.807
231.1469
IBUPROFEN CARBOXYLIC ACID (M+NA)+
-
ME201509
10444113
-
12.845
236.1056
THYMIDINE (M+H)+
Thymidine
ME201586
5789
-
2.626
242.0853
LUMICHROME (M+NA)+
Lumichrome
ME201523
5326566
-
10.858
242.0866
THYMIDINE (M+NA)+
Thymidine
ME201587
5789
-
2.722
242.0881
CYTIDINE (2M+H)+
Cytidine
ME201474
6175
-
0.894
243.0813
URIDINE (M+NA)+
Uridine
ME201595
6029
-
1.355
244.0696
URIDINE (M+H)+
Uridine
ME201594
6029
-
1.357
244.0699
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME201515
169235
-
4.541
245.1631
N-ACETYL-D-TRYPTOPHAN (M+H)+
N-Acetyl-D-tryptophan
ME201531
439917
-
7.872
246.0987
N-ACETYL-D-TRYPTOPHAN (M+NA)+
N-Acetyl-D-tryptophan
ME201532
439917
-
7.863
246.1014
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME201504
3246939
-
7.032
260.1867
ADENOSINE (M+H)+
Adenosine
ME201441
60961
-
1.797
267.0941
GLUTARYLCARNITINE (*) (M+H)+
CAR DC5:0
ME201493
53481622
-
1.86
275.1366
ALPHA-LINOLENIC ACID (M+NA)+
alpha-Linolenic acid
ME201444
5280934
-
22.864
278.2221
1-METHYLADENOSINE (M+H)+
1-Methyladenosine
ME201412
27476
-
2.983
281.1129
OLEAMIDE (M+H)+
Oleamide
ME201548
5283387
-
22.634
281.2701
OLEIC ACID (M+H)+
Oleic acid
ME201549
445639
-
22.543
282.2562
ELAIDIC ACID (M+H)+
Elaidic acid
ME201486
637517
-
22.932
282.2563
OLEIC ACID (M+NA)+
Oleic acid
ME201550
445639
-
22.569
282.258
GUANOSINE (M+H)+
Guanosine
ME201503
6802
-
1.836
283.0917
XANTHOSINE (M+H)+
Xanthosine
ME201599
64959
-
2.291
284.0735
OCTENOYLCARNITINE (*) M+
CAR 8:1
ME201547
71464472
-
9.574
286.2024
OCTANOYLCARNITINE (*) (M+H)+
CAR 8:0
ME201546
123701
-
11.759
287.2104
DEHYDROEPIANDROSTERONE (M+H)+
Dehydroepiandrosterone
ME201476
5881
-
17.23
288.2064
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME201433
439176
-
4.465
297.0903
GLYCEROL MYRISTATE (M+NA)+
MG 14:0
ME201497
79050
-
22.15
302.2454
GLYCEROL MYRISTATE (M+H)+[-H2O]
MG 14:0
ME201496
79050
-
22.104
302.249
N-ACETYLNEURAMINIC ACID (M+NA)+
N-Acetylneuraminic acid
ME201540
444885
-
0.849
309.1036
PROGESTERONE (M+H)+
Progesterone
ME201563
5994
-
19.574
314.2253
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+
p-Acetamidophenylglucuronide
ME201559
83944
-
2.256
327.0957
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+
p-Acetamidophenylglucuronide
ME201558
83944
-
2.25
327.0963
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+
p-Acetamidophenylglucuronide
ME201557
83944
-
2.254
327.0967
17ALPHA-HYDROXYPROGESTERONE (M+H)+
17alpha-Hydroxyprogesterone
ME201418
6238
-
17.648
330.2211
SUCROSE (M+NA)+
Sucrose
ME201577
5988
-
0.777
342.1128
DODECENOYLCARNITINE (*) II M+
CAR 12:1
ME201483
53481671
-
16.817
342.2648
OMEPRAZOLE (M+H)+
Omeprazole
ME201554
4594
-
11.046
345.115
CORTICOSTERONE (M+NA)+
Corticosterone
ME201466
5753
-
15.306
346.2125
CORTICOSTERONE (M+H)+
Corticosterone
ME201465
5753
-
15.313
346.2133
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME201442
6083
-
0.994
347.0632
PROSTAGLANDIN E2 (M+H)+
PGE2
ME201566
5280360
-
16.664
352.2229
OLEOYL-GLYCEROL (M+H)+
MG 18:1
ME201551
5319879
-
22.717
356.2926
OLEOYL-GLYCEROL (M+H)+[-H2O]
MG 18:1
ME201552
5319879
-
22.718
356.2928
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME201553
5319879
-
22.723
356.2933
CORTISONE (M+H)+
Cortisone
ME201469
222786
-
13.281
360.1929
OMEPRAZOLE SULFONE (M+H)+
Omeprazole sulfone
ME201555
145900
-
12.216
361.1105
CORTISOL (M+H)+
Cortisol
ME201467
5754
-
13.697
362.2095
CORTISOL (M+NA)+
Cortisol
ME201468
5754
-
13.695
362.2112
THROMBOXANE B2 (M+NA)+
TXB2
ME201585
5283137
-
16.876
370.2312
TETRADECENOYLCARNITINE (*) M+
CAR 14:1
ME201580
22833575
-
18.832
370.2919
RIBOFLAVIN (M+H)+
Riboflavin
ME201568
493570
-
7.577
376.1422
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME201569
439155
-
1.544
384.1262
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME201480
439577
-
24.172
384.3408
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME201456
5997
-
24.542
386.3553
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME201452
8343
-
23.115
390.2777
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME201451
8343
-
23.127
390.2784
DEOXYCHOLIC ACID (2M+NA)+
Deoxycholic acid
ME201477
222528
-
21.664
392.2867
DEOXYCHOLIC ACID (M+NA)+
Deoxycholic acid
ME201478
222528
-
21.67
392.2936
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME201422
65094
-
22.833
402.349
CHOLIC ACID (2M+H)+[-H2O]
Cholic acid
ME201459
221493
-
20.231
408.2854
CHOLIC ACID (M+NA)+
Cholic acid
ME201461
221493
-
20.239
408.288
CHOLIC ACID (2M+H)+
Cholic acid
ME201458
221493
-
20.236
408.2889
CHOLIC ACID (2M+NA)+
Cholic acid
ME201460
221493
-
20.236
408.2893
LANOSTEROL (M+NA)+
Lanosterol
ME201522
246983
-
23.78
426.3968
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME201445
14985
-
24.443
430.3772
EICOSENOYLCARNITINE (*) (M+H)+
CAR 20:1
ME201485
71464507
-
21.996
453.38
EICOSANOYLCARNITINE (*) (M+H)+
CAR 20:0
ME201484
53477833
-
22.195
455.3917
GLYCOCHOLIC ACID (M+H)+
Glycocholic acid
ME201500
10140
-
18.76
465.3095
GLYCOCHOLIC ACID (M+NA)+
Glycocholic acid
ME201502
10140
-
18.762
465.3095
GLYCOCHOLIC ACID (M+H)+[-H2O]
Glycocholic acid
ME201501
10140
-
18.764
465.3101
GLYCOCHOLIC ACID (2M+NA)+
Glycocholic acid
ME201499
10140
-
18.761
465.3106
GLYCOCHOLIC ACID (2M+H)+
Glycocholic acid
ME201498
10140
-
18.76
465.3123
CHOLESTEROL HYDROGEN SULFATE M+H
Cholesterol sulfate
ME201457
65076
-
23.829
466.3119
18:0 LYSO-PE (M+H)+
LPE 18:0
ME201419
9547068
-
22.706
481.3192
16:0 LYSO PC (M+NA)+
LPC 16:0
ME201415
460602
-
22.336
495.3332
16:0 LYSO PC (M+H)+
LPC 16:0
ME201414
460602
-
22.337
495.3334
RAFFINOSE (M+NA)+
Raffinose
ME201567
439242
-
0.734
504.1602
TAUROCHOLIC ACID (M+H)+[-H2O]
Taurocholic acid
ME201578
6675
-
18.108
515.2921
TAUROCHOLIC ACID (M+NA)+
Taurocholic acid
ME201579
6675
-
18.133
515.2924
20:0 LYSO PC (M+NA)+
LPC 20:0
ME201421
24779473
-
22.919
551.3893
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]
DG 16:0_16:0
ME201481
644078
-
25.95
568.5041
DIPALMITOYL-GLYCEROL (M+NA)+
DG 16:0_16:0
ME201482
644078
-
25.958
568.5061
BILIVERDIN (M+H)+
Biliverdin
ME201449
5280353
-
18.536
582.2473
BILIVERDIN (M+NA)+
Biliverdin
ME201450
5280353
-
18.533
582.248
GLUTATHIONE OXIDIZED (M+H)+
Glutathione
ME201494
65359
-
1.347
612.1481
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME201495
65359
-
1.347
612.1546
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME201416
18631368
-
25.437
761.5817
16:0-18:0 PC (M+NA)+
PC 16:0_18:0
ME201417
18631368
-
25.434
761.5899
THYROXINE (M+H)+
Thyroxine
ME201588
5819
-
16.202
776.6877
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