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Return to study ST000725 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
2-HYDROXYBUTYRIC ACID (M-H)-
2-Hydroxybutyric acid
ME204089
11266
-
1.75
104.0475
MALEIC ACID (M-H)-
Maleic acid
ME204160
444266
-
0.949
116.011
N-ACETYLGLYCINE (M-H)-
N-Acetylglycine
ME204171
1097
-
0.898
117.0422
5-AMINOPENTANOIC ACID (M-H)-
5-Aminopentanoic acid
ME204099
138
-
0.774
117.0777
VALINE (M-H)-
Valine
ME204217
6287
-
0.87
117.0779
SUCCINIC ACID (M-H)-
Succinic acid
ME204201
1110
-
1.291
118.0266
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME204088
853180
-
3.491
118.063
TAURINE (M-H)-
Taurine
ME204203
1123
-
0.584
125.0147
N-ETHYLMALEIMIDE (M-H)-
N-Ethylmaleimide
ME204174
4362
-
3.395
125.0473
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME204101
7405
-
1.16
129.0423
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
3-Methyl-2-oxovaleric acid
ME204093
440877
-
4.296
130.0631
4-METHYL-2-OXOPENTANOIC ACID (M-H)-
Ketoleucine
ME204095
70
-
4.699
130.0631
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME204169
88064
-
1.476
131.0578
CREATINE (M-H)-
Creatine
ME204119
586
-
0.641
131.069
ISOLEUCINE (M-H)-
Isoleucine
ME204150
6306
-
1.494
131.094
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME204183
970
-
0.544
132.0034
GLUTARIC ACID (M-H)-
Glutaric acid
ME204136
743
-
2.038
132.0422
ORNITHINE (M-H)-
Ornithine
ME204181
6262
-
0.563
132.0895
MALIC ACID (M-H)-
Malic acid
ME204161
222656
-
0.78
134.021
N-NITROSODIETHANOLAMINE (M+CL)-
N-Nitrosodiethanolamine
ME204175
14223
-
1.018
134.0715
HYPOXANTHINE (M-H)-
Hypoxanthine
ME204145
790
-
1.067
136.0372
SALICYLATE #2 (M-H)-
Salicylic acid
ME204195
338
-
8.188
138.0314
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME204155
227
-
5.286
138.0445
4-NITROPHENOL (M-H)-
4-Nitrophenol
ME204096
980
-
7.014
139.027
ALPHA-KETO-GLUTARIC ACID (M-H)-
2-Oxoglutaric acid
ME204103
51
-
0.89
146.0215
ADIPIC ACID (M-H)-
Adipic acid
ME204102
196
-
3.552
146.0578
GLUTAMINE (M-H)-
Glutamine
ME204135
5961
-
0.59
146.0689
LYSINE (M-H)-
Lysine
ME204159
5962
-
0.564
146.1046
METHIONINE (M-H)-
Methionine
ME204163
6137
-
0.919
149.0496
RIBOSE (M+CL)-
Ribose
ME204193
5779
-
0.652
150.0553
XANTHINE (M-H)-
Xanthine
ME204218
1188
-
1.236
152.033
MANDELIC ACID (M-H)-
Mandelic acid
ME204162
11914
-
5.635
152.0469
L-HISTIDINE (M-H)-
Histidine
ME204153
6274
-
0.589
155.0689
PIMELIC ACID (M-H)-
Pimelic acid
ME204189
385
-
5.704
160.0731
2-DEOXY-D-GLUCOSE (M+CL)-
2-Deoxy-glucose
ME204087
439268
-
0.669
164.0692
PHENYLALANINE (M-H)-
Phenylalanine
ME204187
6140
-
2.48
165.0788
3-METHYLXANTHINE (M-H)-
3-Methylxanthine
ME204094
70639
-
2.395
166.0488
1-METHYLXANTHINE (M-H)-
1-Methylxanthine
ME204083
80220
-
2.541
166.0493
URIC ACID (M-H)-
Uric acid
ME204214
1175
-
0.974
168.028
DECANOIC ACID (M-H)-
Capric acid
ME204120
2969
-
19.87
172.1457
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME204208
444212
-
1.137
174.0161
DEHYDROASCORBIC ACID (M-H)-
L-Dehydroascorbic acid
ME204121
440667
-
0.827
174.0163
SUBERIC ACID (M-H)-
Suberic acid
ME204200
10457
-
8.274
174.0874
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]
Guanidinosuccinic acid
ME204173
439918
-
0.717
175.0606
CITRULLINE (M-H)-
Citrulline
ME204115
9750
-
0.632
175.095
HIPPURIC ACID (M-H)-
Hippuric acid
ME204142
464
-
4.787
179.058
GLUCOSE (M+CL)-
Glucose
ME204134
5793
-
0.612
180.0622
THEOPHYLLINE (M-H)-
Theophylline
ME204205
2153
-
4.415
180.0638
TYROSINE (M-H)-
Tyrosine
ME204212
6057
-
1.289
181.0734
1-METHYLURIC ACID (M-H)-
1-Methyluric acid
ME204082
69726
-
2.179
182.0441
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME204091
440177
-
3.802
182.0574
HOMOVANILLIC ACID (2M-H)-
Homovanillic acid
ME204143
1738
-
5.717
182.0588
4-PYRIDOXIC ACID (M-H)-
4-Pyridoxic acid
ME204097
6723
-
1.85
183.0527
AZELAIC ACID (M-H)-
Azelaic acid
ME204107
2266
-
10.771
188.1045
KYNURENIC ACID (M-H)-
Kynurenic acid
ME204151
3845
-
4.89
189.041
N-ACETYL-DL-METHIONINE (M-H)-
N-Acetylmethionine
ME204168
448580
-
4.047
191.061
ISOCITRIC ACID (M-H)-
Isocitric acid
ME204149
5318532
-
0.721
192.0265
CITRIC ACID (M-H)-
Citric acid
ME204114
311
-
1
192.0267
LAURIC ACID (M-H)-
Lauric acid
ME204156
3893
-
21.76
200.1774
SEBACIC ACID (M-H)-
Sebacic acid
ME204196
5192
-
13.002
202.1203
TRYPTOPHAN (M-H)-
Tryptophan
ME204211
6305
-
3.574
204.0878
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME204154
16217285
-
3.574
206.0842
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME204170
74839
-
7.705
207.088
KYNURENINE (M-H)-
Kynurenine
ME204152
161166
-
2.162
208.0835
3-METHOXYTYROSINE (M-H)-
3-Methoxytyrosine
ME204092
9307
-
1.979
211.0831
TRIDECANOIC ACID (M-H)-
Tridecylic acid
ME204210
12530
-
22.158
214.1928
O-SUCCINYL-L-HOMOSERINE (M-H)-
o-Succinylhomoserine
ME204179
439406
-
0.861
219.072
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME204186
6613
-
3.273
219.1103
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME204219
449093
-
3.863
219.1119
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME204220
449093
-
3.864
219.1119
5-HYDROXYTRYPTOPHAN (M-H)-
5-Hydroxy-tryptophan
ME204100
439280
-
1.757
220.0827
N-ACETYL-D-GLUCOSAMINE (M+CL)-
N-Acetyl-D-glucosamine
ME204166
446101
-
0.643
221.0923
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME204165
5281119
-
22.046
226.1931
DEOXYURIDINE (M-H)-
Deoxyuridine
ME204128
13712
-
1.534
228.0733
DEOXYURIDINE (M+CL)-
Deoxyuridine
ME204127
13712
-
1.638
228.0734
MYRISTIC ACID (M-H)-
Myristic acid
ME204164
11005
-
22.439
228.2091
RIBOSE 5-PHOSPHATE (M-H)-
Ribose 5-phosphate
ME204194
439167
-
0.674
230.0183
URIDINE (M-H)-
Uridine
ME204216
6029
-
1.331
244.0689
URIDINE (M+CL)-
Uridine
ME204215
6029
-
1.306
244.0694
N-ACETYL-D-TRYPTOPHAN (M-H)-
N-Acetyl-D-tryptophan
ME204167
439917
-
7.95
246.1005
DEOXYADENOSINE (M+CL)-
Deoxyadenosine
ME204123
13730
-
1.76
251.1029
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME204185
445638
-
22.564
254.225
PALMITIC ACID (M-H)-
Palmitic acid
ME204184
985
-
22.829
256.2405
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-
sn-Glycero-3-phosphocholine
ME204197
439285
-
0.722
257.1066
INOSINE (M-H)-
Inosine
ME204146
6021
-
1.788
268.0816
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME204140
10465
-
22.991
270.2557
LINOLEIC ACID (M-H)-
Linoleic acid
ME204158
5280450
-
22.702
280.2408
OLEIC ACID (M-H)-
Oleic acid
ME204180
445639
-
22.908
282.2565
STEARIC ACID (M-H)-
Stearic acid
ME204199
5281
-
23.173
284.2719
5'-METHYLTHIOADENOSINE (M+CL)-
5'-Methylthioadenosine
ME204098
439176
-
4.471
297.0888
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME204106
444899
-
22.686
304.2409
ARACHIDONATE #2 (M-H)-
Arachidonic acid
ME204105
444899
-
22.83
304.246
DUMP (M-H)-
dUMP
ME204130
65063
-
0.961
308.042
N-ACETYLNEURAMINIC ACID (M-H)-
N-Acetylneuraminic acid
ME204172
444885
-
0.651
309.1042
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME204113
5282768
-
23.25
310.2869
PHYTANIC ACID (M-H)-
Phytanic acid
ME204188
10380830
-
23.259
312.3023
ARACHIDIC ACID (M-H)-
Arachidic acid
ME204104
10467
-
23.584
312.3028
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME204129
445580
-
22.669
328.2411
ERUCIC ACID (M-H)-
cis-Erucic acid
ME204132
5281116
-
23.659
338.3184
N-OLEOYLGLYCINE (M-H)-
N-Oleoyl glycine
ME204176
6436908
-
22.529
339.274
BEHENIC ACID (M-H)-
Behenic acid
ME204108
8215
-
24.105
340.334
SUCROSE (M+CL)-
Sucrose
ME204202
5988
-
0.645
342.1125
CORTICOSTERONE (M+CL)-
Corticosterone
ME204116
5753
-
15.46
346.2148
INOSINE 5'-PHOSPHATE (M-H)-
IMP
ME204148
8582
-
0.944
348.0416
PROSTAGLANDIN E2 (M+CL)-
PGE2
ME204190
5280360
-
16.808
352.222
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME204209
17085
-
24.428
354.3493
CORTISONE (M+CL)-
Cortisone
ME204118
222786
-
13.447
360.1938
CORTISOL (M+CL)-
Cortisol
ME204117
5754
-
13.876
362.2095
NERVONIC ACID (M-H)-
Nervonic acid
ME204178
5281120
-
24.181
366.3497
DEHYDROEPIANDROSTERONE SULFATE (M-H)-
Dehydroepiandrosterone sulfate
ME204122
12594
-
15.417
368.1666
LIGNOCERIC ACID (M-H)-
Lignoceric acid
ME204157
11197
-
24.801
368.3653
RIBOFLAVIN (M-H)-
Riboflavin
ME204192
493570
-
7.623
376.1388
DEOXYCHOLIC ACID (2M-H)-
Deoxycholic acid
ME204124
222528
-
21.687
392.292
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME204126
222528
-
21.714
392.2928
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME204125
222528
-
21.708
392.2939
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME204144
5283820
-
22.861
392.2952
HEXACOSANOIC ACID (M-H)-
Cerotic acid
ME204141
10469
-
25.756
396.3968
CHOLIC ACID (M-H)-
Cholic acid
ME204112
221493
-
20.441
408.2869
CHOLIC ACID (M+CL)-
Cholic acid
ME204111
221493
-
20.447
408.2876
INOSINE 5'-DIPHOSPHATE (M-H)-
IDP
ME204147
6831
-
0.698
428.0172
GERANYLGERANYL DIPHOSPHATE (M-H)-
Geranylgeranyl diphosphate
ME204133
447277
-
23.263
450.186
GLYCOCHOLIC ACID (2M-H)-
Glycocholic acid
ME204138
10140
-
18.97
465.3089
GLYCOCHOLIC ACID (M-H)-
Glycocholic acid
ME204139
10140
-
18.97
465.3089
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME204131
115196
-
19.887
480.3458
18:0 LYSO-PE (M-H)-
LPE 18:0
ME204086
9547068
-
22.649
481.3187
TAUROLITHOCHOLIC ACID (M-H)-
Taurolithocholic acid
ME204204
439763
-
21.755
483.2975
16:0 LYSO PC (M+CL)-
LPC 16:0
ME204084
460602
-
22.238
495.3342
RAFFINOSE (M+CL)-
Raffinose
ME204191
439242
-
0.663
504.1655
BETA-CAROTENE (M-H)-
beta-Carotene
ME204109
5280489
-
23.227
536.4331
BILIVERDIN (M-H)-
Biliverdin
ME204110
5280353
-
18.686
582.2507
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-
UDP-N-acetylglucosamine
ME204213
445675
-
1.268
607.0811
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME204137
65359
-
1.333
612.15
NAD (M-H)-
NAD+
ME204177
5893
-
0.968
663.1047
STACHYOSE (M+CL)-
Stachyose
ME204198
439531
-
0.663
666.2183
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME204085
18631368
-
25.426
761.5979
THYROXINE (M+CL)-
Thyroxine
ME204206
5819
-
16.267
776.6852
THYROXINE (M-H)-
Thyroxine
ME204207
5819
-
16.263
776.6864
24:0 SM (D18:1/24:0) (M+CL)-
SM 18:1;O2/24:0
ME204090
44260127
-
27.776
814.6936
OXALIC ACID (M-H)-
Oxalic acid
ME204182
971
-
0.6
89.9965
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
CYTOSINE (M+NA)+
Cytosine
ME204292
597
-
0.701
111.0446
HISTAMINE (M+NA)+
Histamine
ME204327
774
-
0.662
111.078
CREATININE (M+H)+
Creatinine
ME204286
588
-
0.693
113.0577
PROLINE (M+H)+
Proline
ME204390
145742
-
0.692
115.0617
N-ACETYLGLYCINE (M+NA)+
N-Acetylglycine
ME204364
1097
-
0.905
117.0414
VALINE (M+NA)+
Valine
ME204425
6287
-
0.859
117.0772
5-AMINOPENTANOIC ACID (M+H)+
5-Aminopentanoic acid
ME204247
138
-
0.727
117.0781
VALINE (M+H)+
Valine
ME204424
6287
-
0.866
117.0787
HOMOSERINE (M+NA)+
Homoserine
ME204329
12647
-
0.602
119.0568
THREONINE (M+H)+[-H2O]
Threonine
ME204411
6288
-
0.952
119.0577
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
3-Hydroxybenzaldehyde
ME204240
101
-
4.783
122.0366
NICOTINAMIDE (M+H)+
Niacinamide
ME204370
936
-
1.069
122.047
N-CYCLOHEXYLFORMAMIDE (M+NA)+
N-Cyclohexylformamide
ME204368
13017
-
7.901
127.099
N-CYCLOHEXYLFORMAMIDE (M+H)+
N-Cyclohexylformamide
ME204367
13017
-
7.894
127.0993
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME204249
7405
-
1.164
129.0439
PIPECOLIC ACID (M+H)+
Pipecolic acid
ME204387
849
-
0.929
129.0765
N-ACETYL-L-ALANINE (M+NA)+
N-Acetylalanine
ME204361
88064
-
1.434
131.0572
TRANS-4-HYDROXYPROLINE (M+H)+
trans-4-Hydroxyproline
ME204413
5810
-
0.661
131.0577
CREATINE (M+H)+
Creatine
ME204285
586
-
0.691
131.0669
ISOLEUCINE (M+NA)+
Isoleucine
ME204339
6306
-
1.494
131.0934
ISOLEUCINE (M+H)+
Isoleucine
ME204338
6306
-
1.481
131.0947
ASPARAGINE (M+H)+
Asparagine
ME204258
6267
-
0.643
132.0514
ORNITHINE (M+H)+
Ornithine
ME204381
6262
-
0.517
132.0901
ASPARTIC ACID (M+NA)+
Aspartic acid
ME204259
5960
-
0.619
133.0358
HYPOXANTHINE (M+NA)+
Hypoxanthine
ME204332
790
-
1.047
136.0379
HYPOXANTHINE (M+H)+
Hypoxanthine
ME204331
790
-
1.061
136.0388
UROCANIC ACID (M+H)+
Urocanic acid
ME204422
736715
-
0.91
138.0419
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+
Phosphoethanolamine
ME204230
1015
-
0.612
141.0193
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+
Phosphoethanolamine
ME204229
1015
-
0.609
141.0195
L-HISTIDINOL (M+H)+
L-Histidinol
ME204347
165271
-
0.452
141.0899
SPERMIDINE (M+H)+
Spermidine
ME204399
1102
-
0.494
145.1579
ADIPIC ACID (M+NA)+
Adipic acid
ME204253
196
-
3.465
146.0564
LYSINE (M+NA)+
Lysine
ME204352
5962
-
0.548
146.1044
LYSINE (M+H)+
Lysine
ME204351
5962
-
0.517
146.1056
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME204360
65249
-
0.854
147.0528
METHIONINE (M+H)+
Methionine
ME204354
6137
-
0.959
149.0509
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+
2-Hydroxy-4-(methylthio)butanoic acid
ME204232
11427
-
3.459
150.0323
GUANINE (M+H)+
Guanine
ME204322
764
-
0.826
151.0471
3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+
3-Amino-4-hydroxybenzoic acid
ME204237
65083
-
1.173
153.0399
3-HYDROXYANTHRANILIC ACID (M+H)+
3-Hydroxyanthranilic acid
ME204239
86
-
2.885
153.0429
L-HISTIDINE (M+H)+
Histidine
ME204346
6274
-
0.574
155.0691
ALLANTOIN (M+H)+
Allantoin
ME204255
439714
-
0.619
158.0458
NONANOIC ACID (M+NA)+
Pelargonic acid
ME204372
8158
-
13.181
158.1316
INDOLE-3-ACETALDEHYDE (M+H)+
Indoleacetaldehyde
ME204333
800
-
1.754
159.0689
PIMELIC ACID (M+NA)+
Pimelic acid
ME204386
385
-
5.713
160.0738
CARNITINE (M+H)+
Carnitine
ME204273
10917
-
0.618
161.1042
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+
-
ME204388
83228
-
0.673
162.1013
2-DEOXY-D-GLUCOSE (M+NA)+
2-Deoxy-glucose
ME204231
439268
-
0.677
164.0682
PHENYLALANINE (M+NA)+
Phenylalanine
ME204385
6140
-
2.566
165.0766
PHENYLALANINE (M+H)+
Phenylalanine
ME204384
6140
-
2.54
165.0779
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME204223
80220
-
2.472
166.0479
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME204222
80220
-
2.478
166.0482
3-METHYLXANTHINE (M+H)+
3-Methylxanthine
ME204242
70639
-
2.478
166.0522
URIC ACID (M+H)+
Uric acid
ME204418
1175
-
0.982
168.0279
URIC ACID (M+NA)+
Uric acid
ME204419
1175
-
0.981
168.0312
HOMOGENTISIC ACID (M+H)+
Homogentisic acid
ME204328
780
-
2.064
168.0398
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]
3-Hydroxymandelic acid
ME204353
86957
-
2.129
168.0406
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]
3-Dehydroshikimate
ME204238
439774
-
0.948
172.0353
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+
4-Quinolinecarboxylic acid
ME204245
10243
-
4.942
173.0469
N-ACETYL-L-LEUCINE (M+H)+
N-Acetylleucine
ME204362
75619
-
7.162
173.1051
SUBERIC ACID (M+H)+[-H2O]
Suberic acid
ME204403
10457
-
8.274
174.0888
SUBERIC ACID (M+NA)+
Suberic acid
ME204404
10457
-
8.273
174.0907
L-ARGININE (M+H)+
Arginine
ME204344
6322
-
0.6
174.1106
L-ARGININE (M+NA)+
Arginine
ME204345
6322
-
0.59
174.111
INDOLE-3-ACETIC ACID (M+NA)+
Indoleacetic acid
ME204335
802
-
8.407
175.0634
INDOLE-3-ACETIC ACID (M+H)+
Indoleacetic acid
ME204334
802
-
8.41
175.0637
SEROTONIN (M+NA)+
Serotonin
ME204397
5202
-
1.656
176.0941
SEROTONIN (M+H)+
Serotonin
ME204396
5202
-
1.755
176.0956
HIPPURIC ACID (M+NA)+
Hippuric acid
ME204326
464
-
4.784
179.0586
HIPPURIC ACID (M+H)+
Hippuric acid
ME204325
464
-
4.783
179.0589
GLUCOSE (M+NA)+
Glucose
ME204312
5793
-
0.682
180.0621
THEOBROMINE (M+H)+
Theobromine
ME204408
5429
-
3.458
180.0651
THEOPHYLLINE (M+NA)+
Theophylline
ME204410
2153
-
4.416
180.0652
THEOPHYLLINE (M+H)+
Theophylline
ME204409
2153
-
4.395
180.0657
TYROSINE (M+NA)+
Tyrosine
ME204417
6057
-
1.292
181.0737
TYROSINE (M+H)+
Tyrosine
ME204416
6057
-
1.291
181.0739
4-PYRIDOXIC ACID (M+NA)+
4-Pyridoxic acid
ME204244
6723
-
1.835
183.0497
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME204277
1014
-
0.624
183.0648
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]
Vanylglycol
ME204243
688030
-
2.54
184.0743
CYSTEIC ACID (M+H)+
Cysteic acid
ME204288
72886
-
0.634
187.0159
AZELAIC ACID (M+H)+
Azelaic acid
ME204260
2266
-
10.781
188.1036
AZELAIC ACID (M+H)+[-H2O]
Azelaic acid
ME204261
2266
-
10.769
188.1043
AZELAIC ACID (M+NA)+
Azelaic acid
ME204262
2266
-
10.769
188.1059
KYNURENIC ACID (M+H)+
Kynurenic acid
ME204341
3845
-
4.894
189.043
METHYL INDOLE-3-ACETATE (M+H)+
Indole-3-methyl acetate
ME204356
74706
-
11.681
189.0789
N-ACETYL-DL-METHIONINE (M+H)+
N-Acetylmethionine
ME204359
448580
-
4.029
191.0619
CITRIC ACID (M+NA)+
Citric acid
ME204278
311
-
1.003
192.0269
METHYL BETA-D-GALACTOSIDE (M+NA)+
Methyl beta-D-galactoside
ME204355
94214
-
0.661
194.08
CAFFEINE (M+H)+
Caffeine
ME204270
2519
-
5.879
194.0824
GLUCOSAMINIC ACID (M+NA)+
Glucosaminic acid
ME204311
73563
-
0.658
195.0765
SELENOMETHIONINE (M+H)+
Selenomethionine
ME204395
105024
-
1.264
196.9967
SEBACIC ACID (M+NA)+
Sebacic acid
ME204394
5192
-
13.005
202.1237
SPERMINE (M+H)+
Spermine
ME204400
1103
-
0.494
202.2162
ACETYLCARNITINE (M+H)+
CAR 2:0
ME204250
18230
-
0.904
203.1153
TRYPTOPHAN (M+H)+
Tryptophan
ME204414
6305
-
3.575
204.0877
TRYPTOPHAN (M+NA)+
Tryptophan
ME204415
6305
-
3.575
204.0883
XANTHURENIC ACID (M+H)+
Xanthurenic acid
ME204426
5699
-
4.529
205.0381
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME204348
16217285
-
3.575
206.0849
N-ACETYL-L-PHENYLALANINE (M+NA)+
N-Acetylphenylalanine
ME204363
74839
-
7.708
207.0888
KYNURENINE (M+NA)+
Kynurenine
ME204343
161166
-
2.155
208.0816
KYNURENINE (M+H)+
Kynurenine
ME204342
161166
-
2.162
208.0845
GENTISURIC ACID (M+H)+
-
ME204310
161488
-
4.29
211.046
3-METHOXYTYROSINE (M+H)+
3-Methoxytyrosine
ME204241
9307
-
1.975
211.0837
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME204391
107738
-
1.607
217.1315
N-ACETYLSEROTONIN (M+NA)+
N-Acetylserotonin
ME204366
903
-
4.941
218.1057
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME204382
6613
-
3.271
219.1116
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME204383
6613
-
3.272
219.1117
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME204427
449093
-
3.862
219.1126
5-HYDROXYTRYPTOPHAN (M+H)+
5-Hydroxy-tryptophan
ME204248
439280
-
1.742
220.084
CYSTATHIONINE (M+H)+
Cystathionine
ME204287
439258
-
0.626
222.0635
METHYL JASMONATE (M+NA)+
Methyl jasmonate
ME204357
5281929
-
15.978
224.1404
CARNOSINE (M+NA)+
Carnosine
ME204274
439224
-
0.656
226.1059
BUTYRYLCARNITINE (*) (M+H)+
CAR 4:0
ME204269
213144
-
2.895
231.147
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME204337
168379
-
2.79
231.147
CYSTINE (M+NA)+
Cystine
ME204289
6857538
-
0.599
240.0216
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+
Anserine
ME204264
112072
-
0.668
240.122
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+
Anserine
ME204263
112072
-
0.666
240.1248
URIDINE (M+NA)+
Uridine
ME204421
6029
-
1.328
244.0692
URIDINE (M+H)+
Uridine
ME204420
6029
-
1.332
244.0697
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME204340
169235
-
4.561
245.1631
N-ACETYL-D-TRYPTOPHAN (M+H)+
N-Acetyl-D-tryptophan
ME204358
439917
-
7.97
246.101
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME204398
439285
-
0.686
257.1019
ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+
Galactose 1-phosphate
ME204256
123912
-
0.494
260.0292
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME204324
3246939
-
7.029
260.187
ADENOSINE (M+H)+
Adenosine
ME204251
60961
-
1.747
267.0967
DIETHYLSTILBESTROL (M+NA)+
Diethylstilbestrol
ME204298
448537
-
18.873
268.1416
ESTRONE (M+H)+
Estrone
ME204308
5870
-
16.355
270.1606
GAMMA-LINOLENIC ACID (M+NA)+
gamma-Linolenic acid
ME204309
5280933
-
22.83
278.2221
1-METHYLADENOSINE (M+H)+
1-Methyladenosine
ME204221
27476
-
2.987
281.1126
OLEAMIDE (M+H)+
Oleamide
ME204375
5283387
-
22.6
281.2713
OLEAMIDE (M+NA)+
Oleamide
ME204376
5283387
-
22.6
281.2716
OLEIC ACID (M+NA)+
Oleic acid
ME204378
445639
-
22.531
282.2546
OLEIC ACID (M+H)+
Oleic acid
ME204377
445639
-
22.511
282.2563
ELAIDIC ACID (M+H)+
Elaidic acid
ME204305
637517
-
22.908
282.2591
GUANOSINE (M+H)+
Guanosine
ME204323
6802
-
1.793
283.0916
OCTENOYLCARNITINE (*) M+
CAR 8:1
ME204374
71464472
-
9.503
286.2028
OCTANOYLCARNITINE (*) (M+H)+
CAR 8:0
ME204373
123701
-
11.729
287.2108
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME204246
439176
-
4.469
297.0903
SPHINGANINE (M+H)+
Sphinganine
ME204401
644260
-
20.759
301.2956
GLYCEROL MYRISTATE (M+H)+[-H2O]
MG 14:0
ME204315
79050
-
22.062
302.2417
DUMP (M+H)+
dUMP
ME204301
65063
-
0.946
308.0438
N-ACETYLNEURAMINIC ACID (M+H)+
N-Acetylneuraminic acid
ME204365
444885
-
0.705
309.102
DECENOYLCARNITINE (*) (M+H)+
CAR 10:1
ME204293
57357170
-
13.865
313.2259
PROGESTERONE (M+NA)+
Progesterone
ME204389
5994
-
19.716
314.2276
NICOTINAMIDE MONONUCLEOTIDE (M+NA)+
Nicotinamide ribotide
ME204371
14180
-
0.945
334.0532
DODECENOYLCARNITINE (*) II M+
CAR 12:1
ME204300
53481671
-
16.714
342.2648
LAUROYLCARNITINE (M+H)+
CAR 12:0
ME204349
168381
-
17.683
343.2728
CORTICOSTERONE (M+H)+
Corticosterone
ME204279
5753
-
15.456
346.2136
CORTICOSTERONE (M+NA)+
Corticosterone
ME204280
5753
-
15.461
346.2159
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME204252
6083
-
0.913
347.0626
INOSINE 5'-PHOSPHATE (M+H)+
IMP
ME204336
8582
-
0.951
348.0469
PROSTAGLANDIN E2 (M+H)+
PGE2
ME204392
5280360
-
16.81
352.2226
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME204379
5319879
-
22.697
356.293
CORTISONE (M+H)+
Cortisone
ME204283
222786
-
13.448
360.1946
CORTISONE (M+NA)+
Cortisone
ME204284
222786
-
13.446
360.1958
CORTISOL (M+H)+
Cortisol
ME204281
5754
-
13.879
362.2104
CORTISOL (M+NA)+
Cortisol
ME204282
5754
-
13.879
362.2105
TETRADECENOYLCARNITINE (*) M+
CAR 14:1
ME204407
22833575
-
18.807
370.2958
RIBOFLAVIN (M+H)+
Riboflavin
ME204393
493570
-
7.616
376.14
LITHOCHOLIC ACID (M+NA)+
Lithocholic acid
ME204350
9903
-
22.31
376.3003
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME204297
439577
-
24.223
384.3391
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME204275
5997
-
24.557
386.3558
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME204268
8343
-
23.077
390.2776
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME204267
8343
-
23.079
390.2788
DEOXYCHOLIC ACID (M+H)+[-H2O]
Deoxycholic acid
ME204295
222528
-
21.622
392.288
HYODEOXYCHOLIC ACID (M+NA)+
Hyodeoxycholic acid
ME204330
5283820
-
20.199
392.29
DEOXYCHOLIC ACID (M+NA)+
Deoxycholic acid
ME204296
222528
-
21.625
392.2907
DEOXYCHOLIC ACID (2M+NA)+
Deoxycholic acid
ME204294
222528
-
21.621
392.2913
URSODIOL (M+NA)+
Ursodeoxycholic acid
ME204423
31401
-
21.711
392.2965
CALCIDIOL (M+NA)+
25-Hydroxyvitamin D3
ME204272
5283731
-
22.585
400.3271
CALCIDIOL (M+H)+[-H2O]
25-Hydroxyvitamin D3
ME204271
5283731
-
22.552
400.3317
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME204236
65094
-
22.76
402.3421
OLEOYLCARNITINE (*) (M+H)+
CAR 18:1
ME204380
6441392
-
21.508
425.3512
STEAROYLCARNITINE (*) (M+H)+
CAR 18:0
ME204402
52922056
-
21.828
427.3658
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME204257
14985
-
24.512
430.3806
GLYCOCHENODEOXYCHOLIC ACID (M+H)+
Glycochenodeoxycholic acid
ME204316
9548796
-
20.365
449.3119
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+
Glycochenodeoxycholic acid
ME204318
9548796
-
20.366
449.3146
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]
Glycochenodeoxycholic acid
ME204317
9548796
-
20.363
449.3149
EICOSADIENOYLCARNITINE (*) (M+H)+
CAR 20:2
ME204302
71464509
-
21.684
451.3615
EICOSENOYLCARNITINE (*) (M+H)+
CAR 20:1
ME204304
71464507
-
21.904
453.3757
EICOSANOYLCARNITINE (*) (M+H)+
CAR 20:0
ME204303
53477833
-
22.121
455.3947
GLYCOCHOLIC ACID (M+NA)+
Glycocholic acid
ME204321
10140
-
18.97
465.309
GLYCOCHOLIC ACID (M+H)+
Glycocholic acid
ME204319
10140
-
18.974
465.3098
GLYCOCHOLIC ACID (M+H)+[-H2O]
Glycocholic acid
ME204320
10140
-
18.857
465.3098
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]
Cholesterol sulfate
ME204276
65076
-
23.852
466.3108
EPIBRASSINOLIDE [ISTD] (M+NA)+
24-epi-Brassinolide
ME204307
115196
-
19.892
480.3462
EPIBRASSINOLIDE [ISTD] (M+H)+
24-epi-Brassinolide
ME204306
115196
-
19.893
480.3463
18:0 LYSO-PE (M+H)+
LPE 18:0
ME204227
9547068
-
22.651
481.3152
18:0 LYSO-PE (M+NA)+
LPE 18:0
ME204228
9547068
-
22.649
481.3261
TAUROLITHOCHOLIC ACID (M+H)+[-H2O]
Taurolithocholic acid
ME204406
439763
-
21.764
483.2929
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+
CDP-choline
ME204290
13804
-
0.661
488.1039
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+
CDP-choline
ME204291
13804
-
0.681
488.1146
16:0 LYSO PC (M+NA)+
LPC 16:0
ME204225
460602
-
22.246
495.333
16:0 LYSO PC (M+H)+
LPC 16:0
ME204224
460602
-
22.255
495.3333
TAUROCHENODEOXYCHOLIC ACID (M+NA)+
Taurochenodeoxycholic acid
ME204405
387316
-
20.109
499.2981
20:0 LYSO PC (M+H)+
LPC 20:0
ME204233
24779473
-
22.952
551.3959
DIPALMITOYL-GLYCEROL (M+NA)+
DG 16:0_16:0
ME204299
644078
-
26.283
568.5068
BILIVERDIN (M+H)+
Biliverdin
ME204265
5280353
-
18.691
582.248
BILIVERDIN (M+NA)+
Biliverdin
ME204266
5280353
-
18.697
582.2521
GLUTATHIONE OXIDIZED (M+H)+
Glutathione
ME204313
65359
-
1.323
612.1453
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME204314
65359
-
1.341
612.158
NAD (M+H)+
NAD+
ME204369
5893
-
0.966
663.1021
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME204226
18631368
-
25.434
761.5917
THYROXINE (M+H)+
Thyroxine
ME204412
5819
-
16.259
776.6867
24:0 SM (D18:1/24:0) (M+H)+
SM 18:1;O2/24:0
ME204234
44260127
-
27.791
814.6923
24:0 SM (D18:1/24:0) (M+NA)+
SM 18:1;O2/24:0
ME204235
44260127
-
27.785
814.6927
ALANINE (M+H)+
Alanine
ME204254
5950
-
1.213
89.0475
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