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Return to study ST001875 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
TRIMETHYLAMINE
Trimethylamine
ME432192
-
-
0.791
60.08268
Pyrrolidine
Pyrrolidine
ME432193
-
-
0.7
72.08147
BUTANAL
Butanal
ME432194
-
-
3.929
73.06645
N,N-Dimethylformamide
N,N-Dimethylformamide
ME432195
-
-
1.212
74.06092
GLYCINE
Glycine
ME432196
-
-
3.156
76.03878
TRIMETHYLAMINE N-OXIDE
Trimethylamine N-oxide
ME432197
-
-
0.807
76.07697
2-Aminoethanethiol
Cysteamine
ME432198
-
-
2.792
78.03445
Dimethyl??sulfoxide
Dimethyl sulfoxide
ME432199
-
-
0.998
79.02
Dimethyl sulfoxide
Dimethyl sulfoxide
ME432200
-
-
0.928
79.02244
Pyridine
Pyridine
ME432201
-
-
1.066
80.05001
Pyrimidine
Pyrimidine
ME432202
-
-
0.803
81.04643
2-Pyrrolidinone; AIF; CE10; CorrDec
2-Pyrrolidinone
ME432203
-
-
1.233
86.05934
2-Methylpyrrolidine
2-Methyl pyrrolidine
ME432204
-
-
4.55
86.09578
SARCOSINE
Sarcosine
ME432205
-
-
0.797
90.05457
beta-Alanine
beta-Alanine
ME432206
-
-
1.983
90.05612
Aniline
Aniline
ME432207
-
-
1.542
94.06346
Aniline; AIF; CE30; CorrDec
Aniline
ME432208
-
-
1.593
94.06574
4-Methylpyrimidine
4-Methylpyrimidine
ME432209
-
-
0.808
95.06022
2-HYDROXYPYRIDINE
2-Hydroxypyridine
ME432210
-
-
1.068
96.04169
Ortophosphate
-
ME432211
-
-
0.927
98.9837
2-Piperidone
2-Piperidinone
ME432212
-
-
1.787
100.07547
5-VALEROLACTONE
5-Valerolactone
ME432213
-
-
0.803
101.06001
Hexylamine
Hexylamine
ME432214
-
-
25.57
102.12822
4-AMINOBUTANOIC ACID
gamma-Aminobutyric acid
ME432215
-
-
0.817
104.07005
CHOLINE
Choline
ME432216
-
-
0.789
104.10686
BENZALDEHYDE
Benzaldehyde
ME432217
-
-
1.631
107.04945
Catechol
Pyrocatechol
ME432218
-
-
3.366
109.02689
3-Aminophenol; LC-tDDA; CE10
-
ME432219
-
-
2.012
110.05898
CYTOSINE
Cytosine
ME432220
-
-
1.049
112.04785
URACIL
Uracil
ME432221
-
-
1.019
113.03245
CREATININE
Creatinine
ME432222
-
-
9.713
114.06358
GAMMA-CAPROLACTONE
gamma-Caprolactone
ME432223
-
-
3.8
115.07341
L-Proline
Proline
ME432224
-
-
0.689
116.0699
Proline
Proline
ME432225
-
-
4.302
116.07001
3-METHYL-2-OXOBUTANOIC ACID
Ketoisovaleric acid
ME432226
-
-
2.635
117.0539
Glycocyamine
Guanidoacetic acid
ME432227
-
-
0.866
118.06264
INDOLE
Indole
ME432228
-
-
2.618
118.06318
Norvaline
Norvaline
ME432229
-
-
2.567
118.06445
BETAINE
Betaine
ME432230
-
-
13.07
118.08475
Betaine; CE30
Betaine
ME432231
-
-
20.698
118.08524
Valine
Valine
ME432232
-
-
3.076
118.08575
ANTHRANILATE
2-Aminobenzoic acid
ME432233
-
-
2.27
120.04327
2-Hydroxybenzonitrile
2-Hydroxybenzonitrile
ME432234
-
-
4.295
120.04359
Threonine
Threonine
ME432235
-
-
0.872
120.06351
Indoline
Indoline
ME432236
-
-
5.187
120.079
PHENYLETHANOLAMINE
2-Hydroxyphenethylamine
ME432237
-
-
1.64
120.08105
Benzoic acid
Benzoic acid
ME432238
-
-
15.234
121.02518
4-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME432239
-
-
13.953
121.03165
Tyramine
Tyramine
ME432240
-
-
6.684
121.064
Cysteine
Cysteine
ME432241
-
-
3.568
122.0252
2,4,6-Trimethylpyridine
2,4,6-Trimethylpyridine
ME432242
-
-
23.4
122.09402
2,6-Xylidine
2,6-Dimethylaniline
ME432243
-
-
28.882
122.09538
Nicotinamide
Niacinamide
ME432244
-
-
1.056
123.05419
2-Acetylpyrazine
2-Acetylpyrazine
ME432245
-
-
0.813
123.05442
Picolinic acid
Picolinic acid
ME432246
-
-
2.792
124.03841
NICOTINIC ACID
Nicotinic acid
ME432247
-
-
1.065
124.03878
4-Methoxyaniline
p-Anisidine
ME432248
-
-
1.122
124.07616
Taurine; LC-tDDA; CE40
Taurine
ME432249
-
-
0.824
126.02154
Taurine; LC-tDDA; CE10
Taurine
ME432250
-
-
0.88
126.02155
5-Methylcytosine
5-Methylcytosine
ME432251
-
-
0.839
126.05625
3-METHYLHISTAMINE
3-Methylhistamine
ME432252
-
-
0.707
126.10323
4-Hydroxy-6-methyl-2-pyrone
-
ME432253
-
-
2.692
127.03822
Maltol
Maltol
ME432254
-
-
2.515
127.03873
3-HYDROXY-2-METHYL-4-PYRONE
Maltol
ME432255
-
-
1.509
127.03883
THYMINE
Thymine
ME432256
-
-
1.438
127.04957
Naphthalene
Naphthalene
ME432257
-
-
12.185
128.0611
DL-Coniine
Coniine
ME432258
-
-
2.117
128.14113
Pyroglutamate
Pyroglutamic acid
ME432259
-
-
1.054
130.0477
5-OXO-D-PROLINE
5-Oxo-D-proline
ME432260
-
-
3.752
130.04895
PYROGLUTAMIC ACID
Pyroglutamic acid
ME432261
-
-
1.301
130.04916
delta-Aminolevulinic acid
5-Amino-levulinic acid
ME432262
-
-
7.103
130.05072
Quinoline; LC-tDDA; CE30
Quinoline
ME432263
-
-
5.303
130.06227
Indole-3-carbinol
Indole-3-carbinol
ME432264
-
-
5.11
130.06276
Quinoline; LC-tDDA; CE20
Quinoline
ME432265
-
-
2.618
130.06422
PIPECOLIC ACID
Pipecolic acid
ME432266
-
-
0.693
130.08659
PIPECOLINIC ACID
Pipecolic acid
ME432267
-
-
1.029
130.08675
N-acetyl putrescine
N-Acetylputrescine
ME432268
-
-
0.815
131.11531
5-HYDROXYINDOLE
5-Hydroxyindole
ME432269
-
-
3.443
132.04341
CREATINE
Creatine
ME432270
-
-
0.802
132.07626
2-Methylindole
2-Methylindole
ME432271
-
-
2.5
132.07909
Isoleucine
Isoleucine
ME432272
-
-
2.54
132.09056
Leucine
Leucine
ME432273
-
-
1.257
132.10265
Aspartate
Aspartic acid
ME432274
-
-
1.062
134.04379
2-Oxindole; LC-tDDA; CE20
Indolin-2-one
ME432275
-
-
3.378
134.0591
2-Oxindole; LC-tDDA; CE10
Indolin-2-one
ME432276
-
-
3.286
134.0593
2-Oxindole; LC-tDDA; CE40
Indolin-2-one
ME432277
-
-
3.434
134.05931
2-Phenylglycine [M+H-NH2]+; AIF; CE10; MS2Dec
2-Phenylglycine
ME432278
-
-
5.5
135.04213
2-Phenylglycine [M+H-NH2]+; AIF; CE0; MS2Dec
2-Phenylglycine
ME432279
-
-
4.272
135.0423
N-METHYLNICOTINAMIDE
N-Methylnicotinamide
ME432280
-
-
2.792
135.05377
2-Benzoxazolinone
2-Benzoxazolol
ME432281
-
-
2.123
136.04071
Adenine
Adenine
ME432282
-
-
0.808
136.04747
P-OCTOPAMINE
Octopamine
ME432283
-
-
1.061
136.07445
2-Aminoacetophenone
2-Aminoacetophenone
ME432284
-
-
1.593
136.07458
2-PHENYLACETAMIDE
2-Phenylacetamide
ME432285
-
-
3.749
136.07512
Hypoxanthine
Hypoxanthine
ME432286
-
-
2.101
137.04395
Thionin
Thionin
ME432287
-
-
2.156
137.04535
P-ANISALDEHYDE
-
ME432288
-
-
2.885
137.05876
1-METHYLNICOTINAMIDE
1-Methyl nicotinamide
ME432289
-
-
0.789
137.06778
4-AMINOBENZOIC ACID
p-Aminobenzoic acid
ME432290
-
-
2.04
138.05286
Trigonelline
Trigonelline
ME432291
-
-
0.819
138.05319
2-Aminobenzoic acid
2-Aminobenzoic acid
ME432292
-
-
4.31
138.05428
Salicylic acid
Salicylic acid
ME432293
-
-
5.962
139.03667
3-HYDROXYBENZOIC ACID
3-Hydroxybenzoic acid
ME432294
-
-
3.03
139.03728
UROCANATE
Urocanic acid
ME432295
-
-
0.837
139.05075
Isophorone
Isophorone
ME432296
-
-
7.518
139.11061
2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE
2-Ethyl-3-hydroxy-4H-pyran-4-one
ME432297
-
-
2.241
141.05272
Gentisyl alcohol
Gentisyl alcohol
ME432298
-
-
2.792
141.05461
Methylimidazoleacetic acid; LC-tDDA; CE30
Methylimidazoleacetic acid
ME432299
-
-
0.815
141.06554
4-Hydroxyquinoline
4-Hydroxyquinoline
ME432300
-
-
2.927
144.04347
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME432301
-
-
0.843
144.04517
2-Naphthylamine
2-Aminonaphthalene
ME432302
-
-
2.506
144.07925
L-beta-Homoleucine
-
ME432303
-
-
0.836
144.10118
Tripropilamine
-
ME432304
-
-
3.148
144.1736
2-Naphthalenol
2-Naphthol
ME432305
-
-
7.038
145.06305
6-Quinolinol
-
ME432306
-
-
3.062
146.05829
Quinolone
2-Hydroxyquinoline
ME432307
-
-
4.389
146.05928
3-Formylindole
1H-Indole-3-carboxaldehyde
ME432308
-
-
2.626
146.0594
2-Hydroxyquinoline
2-Hydroxyquinoline
ME432309
-
-
4.883
146.05943
8-Hydroxyquinoline
Quinolin-8-ol
ME432310
-
-
2.346
146.05948
4-Acetamidobutyric acid
4-Acetamidobutanoic acid
ME432311
-
-
1.211
146.08243
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME432312
-
-
0.977
146.0923
DEOXYCARNITINE
3-Dehydroxycarnitine
ME432313
-
-
0.822
146.11751
L-beta-Homoisoleucine
-
ME432314
-
-
3.03
146.11758
Spermidine
Spermidine
ME432315
-
-
0.689
146.16566
Coumaric acid (isomer of 189, 194)
cis-p-Coumaric acid
ME432316
-
-
2.767
147.04349
COUMARIN
Coumarin
ME432317
-
-
1.059
147.04468
Glutamine
Glutamine
ME432318
-
-
0.869
147.07419
L-Glutamine
Glutamine
ME432319
-
-
4.033
147.07588
Methyl trans-styryl ketone
-
ME432320
-
-
13.785
147.08107
Lysine; LC-tDDA; CE40
Lysine
ME432321
-
-
0.696
147.11122
Lysine
Lysine
ME432322
-
-
4.758
147.11523
Glutamic acid
Glutamic acid
ME432323
-
-
0.782
148.05882
L-Glutamic acid
Glutamic acid
ME432324
-
-
4.621
148.05954
Glutamate
Glutamic acid
ME432325
-
-
0.883
148.0612
Phthalic acid
Phthalic acid
ME432326
-
-
12.756
149.02168
CINNAMIC ACID
trans-Cinnamic acid
ME432327
-
-
5.006
149.05782
CARVONE
Carvone
ME432328
-
-
4.398
149.09628
Methionine
Methionine
ME432329
-
-
7.517
150.05548
PYRIDOXAL
Pyridoxal
ME432330
-
-
2.114
150.05553
Divarinol
-
ME432331
-
-
6.934
151.07494
Thymol
Thymol
ME432332
-
-
7.889
151.11079
Guanine
Guanine
ME432333
-
-
0.824
152.0555
Acenapthylene
-
ME432334
-
-
10.771
152.06131
Acetaminophen
Acetaminophen
ME432335
-
-
1.259
152.06821
4-ACETAMIDOPHENOL
Acetaminophen
ME432336
-
-
2.012
152.06992
Xanthine
Xanthine
ME432337
-
-
0.866
153.03979
4-HYDROXYPHENYL ACETIC ACID
4-Hydroxyphenylacetic acid
ME432338
-
-
5.52
153.05246
Nudifloramide; LC-tDDA; CE20
-
ME432339
-
-
1.095
153.06468
10-HYDROXYDECANOATE
10-Hydroxydecanoic acid
ME432340
-
-
8.679
153.12411
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME432341
-
-
1.622
154.04825
Histidine
Histidine
ME432342
-
-
7.027
156.07701
L-Histidine
Histidine
ME432343
-
-
0.7
156.07745
1,5-Naphthalenediamine
1,5-Naphthalenediamine
ME432344
-
-
2.609
159.09084
6-methoxyquinoline
6-Methoxyquinoline
ME432345
-
-
1.201
160.07265
INDOLEACETALDEHYDE
Indoleacetaldehyde
ME432346
-
-
5.312
160.07443
N-Isovalerylglycine
Isovalerylglycine
ME432347
-
-
3.469
160.09573
ISOVALERYLGLYCINE
Isovalerylglycine
ME432348
-
-
3.141
160.09601
2-Aminocaprylic acid; LC-tDDA; CE20
-
ME432349
-
-
8.112
160.13184
5-Aminovaleric acid betaine
N,N,N-trimethyl-5-aminovalerate
ME432350
-
-
0.835
160.13307
4-Methylcoumarin
4-Methylcoumarin
ME432351
-
-
6.031
161.05949
Tryptamine
Tryptamine
ME432352
-
-
3.17
161.10728
N6-Methyl-lysine; AIF; CE0; CorrDec
N(6)-Methyllysine
ME432353
-
-
16.754
161.13051
2,8-Quinolinediol; AIF; CE10; CorrDec
-
ME432354
-
-
2.937
162.05298
2,8-Quinolinediol
Quinoline-2,8-diol
ME432355
-
-
3.384
162.05397
1H-indole-3-carboxylic acid
Indole-3-carboxylic acid
ME432356
-
-
4.408
162.0542
Glutamic acid gamma methyl ester
Glutamic acid gamma-methyl ester
ME432357
-
-
1.032
162.07597
INDOLE-3-ETHANOL
Tryptophanol
ME432358
-
-
6.206
162.08987
CARNITINE
Carnitine
ME432359
-
-
0.797
162.11147
1,6-ANHYDRO-B-GLUCOSE
Glucosan
ME432360
-
-
0.897
163.06133
Valerophenone
Valerophenone
ME432361
-
-
19.829
163.11203
Nicotine
Nicotine
ME432362
-
-
29.004
163.12242
N-Acetyl-cysteine; LC-tDDA; CE10
N-Acetylcysteine
ME432363
-
-
7.359
164.03545
N-Acetyl-cysteine; LC-tDDA; CE20
N-Acetylcysteine
ME432364
-
-
3.573
164.0356
PHENYLALANINE
Phenylalanine
ME432365
-
-
1.211
164.07356
N-(2-Phenylethyl)acetamide
N-acetylphenylethylamine
ME432366
-
-
5.966
164.1058
Ethylparaben
Ethylparaben
ME432367
-
-
2.869
165.05418
(S)-(-)-Perillic acid
Perillic acid
ME432368
-
-
16.858
165.08873
7-Methylguanine; LC-tDDA; CE20
7-Methylguanine
ME432369
-
-
0.901
166.07037
O6-MeG
-
ME432370
-
-
1.102
166.07045
L-Phenylalanine
Phenylalanine
ME432371
-
-
5.181
166.08493
1-Methylxanthine
1-Methylxanthine
ME432372
-
-
1.29
167.05367
Paeonol
Paeonol
ME432373
-
-
6.689
167.06789
Uric acid
Uric acid
ME432374
-
-
0.958
169.0354
Pyridoxamine
Pyridoxamine
ME432375
-
-
0.711
169.09439
3-Indoleacrylic acid [M+H-H2O]+; AIF: CE0; MS2Dec
Indoleacrylic acid
ME432376
-
-
5.716
170.05847
PYRIDOXINE
Pyridoxine
ME432377
-
-
1.066
170.08083
3-Methylhistidine
3-Methylhistidine
ME432378
-
-
0.733
170.09171
IS_PHENYLALANINE-2,3,4,5,6-D5
-
ME432379
-
-
1.594
171.1162
Gabapentin
Gabapentin
ME432380
-
-
3.072
172.1322
Suberic acid
Suberic acid
ME432381
-
-
5.309
173.08095
Quinaldic acid
Quinaldic acid
ME432382
-
-
4.848
174.05463
2-QUINOLINECARBOXYLIC ACID
Quinaldic acid
ME432383
-
-
4.385
174.05469
4-Quinolinecarboxylic acid
4-Quinolinecarboxylic acid
ME432384
-
-
1.158
174.0554
HEXANOYLGLYCINE
Hexanoylglycine
ME432385
-
-
5.229
174.1124
N-Acetyl-leucine; LC-tDDA; CE20
N-Acetylleucine
ME432386
-
-
4.545
174.11418
L-Arginine
Arginine
ME432387
-
-
0.82
175.10791
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME432388
-
-
0.728
175.14507
N-ACETYL-ASPARTIC ACID
N-Acetylaspartic acid
ME432389
-
-
1.065
176.05536
5-methoxyindole-3-carbaldehyde
-
ME432390
-
-
1.177
176.06647
INDOLEACETIC ACID
Indoleacetic acid
ME432391
-
-
6.164
176.06833
trans-Ferulic acid; [M+H-H2O]+
trans-Ferulic acid
ME432392
-
-
3.973
177.05228
FERULATE
trans-Ferulic acid
ME432393
-
-
7.768
177.0564
Cotinine
Cotinine
ME432394
-
-
1.038
177.10123
Alliin; LC-tDDA; CE20
Alliin
ME432395
-
-
1.301
178.05223
DEP_178.1226_15.3
-
ME432396
-
-
28.971
178.12224
Cysteinylglycine
Cys-Gly
ME432397
-
-
0.854
179.04732
4-(Dimethylamino)phenylthiocyanate
-
ME432398
-
-
4.759
179.06458
Coniferaldehyde
Coniferyl aldehyde
ME432399
-
-
3.912
179.0685
Hippuric acid
Hippuric acid
ME432400
-
-
4.728
180.06416
HIPPURATE
Hippuric acid
ME432401
-
-
3.574
180.06424
D-(+)-Glucosamine
Glucosamine
ME432402
-
-
1.053
180.08115
N7-Et-G
-
ME432403
-
-
1.549
180.08702
Phenacetin
Phenacetin
ME432404
-
-
8.193
180.10036
D-beta-Homophenylalanine
Homophenylalanine
ME432405
-
-
3.508
180.10049
NICOTINURIC ACID
Nicotinuric acid
ME432406
-
-
2.792
181.06102
PARAXANTHINE
Paraxanthine
ME432407
-
-
2.316
181.07079
THEOBROMINE
Theobromine
ME432408
-
-
1.638
181.07286
Tyrosine
Tyrosine
ME432409
-
-
1.749
182.0779
Etilefrine
Etilefrine
ME432410
-
-
10.76
182.11836
HYDROXYPHENYLLACTIC ACID
Hydroxyphenyllactic acid
ME432411
-
-
2.875
183.0636
4-Pyridoxic acid
4-Pyridoxic acid
ME432412
-
-
1.137
184.05885
Phosphorylcholine; LC-tDDA; CE10
Choline phosphate
ME432413
-
-
20.159
184.06898
Phosphorylcholine; LC-tDDA; CE20
Choline phosphate
ME432414
-
-
21.57
184.07088
Phosphorylcholine; LC-tDDA; CE40
Choline phosphate
ME432415
-
-
20.537
184.07251
O-Phosphocholine
Choline phosphate
ME432416
-
-
21.452
184.07549
gamma-Undecalactone
gamma-Undecalactone
ME432417
-
-
17.877
185.15178
Ecgonine
Ecgonine
ME432418
-
-
0.844
186.10471
Tributylamine
Tributylamine
ME432419
-
-
7.169
186.2204
Atrazine-desethyl
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME432420
-
-
1.702
188.06508
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME432421
-
-
3.139
188.0703
METHYL INDOLE-3-ACETATE
Indole-3-methyl acetate
ME432422
-
-
2.506
188.07036
N8-Acetylspermidine
N8-Acetylspermidine
ME432423
-
-
0.747
188.17531
Azelaic acid
Azelaic acid
ME432424
-
-
6.344
189.1115
Glycylleucine
Gly-Leu
ME432425
-
-
2.321
189.12274
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME432426
-
-
0.725
189.15915
Kynurenic acid
Kynurenic acid
ME432427
-
-
2.936
190.04831
N-Acetylglutamic acid
N-Acetylglutamic acid
ME432428
-
-
1.089
190.07248
INDOLEPROPIONIC ACID
Indolepropionic acid
ME432429
-
-
7.441
190.08595
1-(4-Methoxyphenyl)-1-pentene-3-one
-
ME432430
-
-
5.166
191.10413
5-Hydroxyindole-3-acetic acid
5-Hydroxyindoleacetic acid
ME432431
-
-
3.043
192.06444
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
2-Oxindole-3-acetate
ME432432
-
-
4.386
192.06497
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME432433
-
-
3.093
192.06531
Diethyltoluamide
N,N-Diethyl-m-toluamide
ME432434
-
-
9.676
192.13708
DEET
N,N-Diethyl-m-toluamide
ME432435
-
-
2.848
192.13937
Phenylacetylglycine; LC-tDDA; CE10
Phenylacetylglycine
ME432436
-
-
4.252
194.07924
m-Cumenyl methylcarbamate
m-Cumenyl methylcarbamate
ME432437
-
-
0.842
194.11548
4-Hexyloxyaniline
-
ME432438
-
-
3.999
194.15266
FERULIC ACID
trans-Ferulic acid
ME432439
-
-
4.99
195.06374
4-Aminohippuric acid; AIF; CE0; MS2Dec
4-Aminohippuric acid
ME432440
-
-
2.275
195.07681
CAFFEINE
Caffeine
ME432441
-
-
3.347
195.08708
4-Hexylresorcinol
4-Hexylresorcinol
ME432442
-
-
1.893
195.12224
o-Hydroxyhippuric acid
Salicyluric acid
ME432443
-
-
4.596
196.0589
4-Hydroxyhippuric acid
4-Hydroxyhippuric acid
ME432444
-
-
2.379
196.05923
Methyltyrosinate
Methyl tyrosinate
ME432445
-
-
2.029
196.09654
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME432446
-
-
2.023
197.06367
ortho-Chlorophenylpiperazine
-
ME432447
-
-
6.389
197.0798
Xanthoxylin
Xanthoxylin
ME432448
-
-
5.09
197.08124
Loliolide
Loliolide
ME432449
-
-
5.77
197.11786
NCGC00381364-01!3-propan-2-yl-2,3,6,7,8,8a-hexahyd...
-
ME432450
-
-
3.514
197.12704
3,4-Dihydroxy-L-phenylalanine
DOPA
ME432451
-
-
1.069
198.07549
Azacyclotridecan-2-one
-
ME432452
-
-
18.581
198.18295
gamma-Dodecalactone
gamma-Dodecalactone
ME432453
-
-
18.825
199.17107
Ecgonine-methyl-ester (EME)
-
ME432454
-
-
7.194
200.12663
Thiabendazole
Thiabendazole
ME432455
-
-
3.583
202.04524
PSICOSE
Psicose
ME432456
-
-
0.823
203.05255
Vasicinone
Vasicinone
ME432457
-
-
1.283
203.08035
NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethy...
-
ME432458
-
-
6.323
203.1178
Leucyl-Alanine; LC-tDDA; CE40
Leu-Ala
ME432459
-
-
2.298
203.13789
Spermine
Spermine
ME432460
-
-
0.697
203.22043
Acetylcarnitine
CAR 2:0
ME432461
-
-
1.058
204.12032
L-Tryptophan
Tryptophan
ME432462
-
-
2.504
205.0957
Tryptophan
Tryptophan
ME432463
-
-
3.332
205.09657
Xanthurenic acid
Xanthurenic acid
ME432464
-
-
2.389
206.04434
INDOLELACTIC ACID
Indolelactic acid
ME432465
-
-
5.316
206.07867
N-(CINNAMOYL)GLYCINE
Cinnamoylglycine
ME432466
-
-
5.831
206.08057
Dehydrosalsolidine
Dehydrosalsolidine
ME432467
-
-
1.967
206.1161
Ibuprofen
Ibuprofen
ME432468
-
-
3.907
207.13608
2,6-di-tert-Butylphenol
2,6-Ditert-butylphenol
ME432469
-
-
14.679
207.17245
N-Acetylphenylalanine
N-Acetylphenylalanine
ME432470
-
-
5.221
208.09677
Kynurenine
Kynurenine
ME432471
-
-
1.54
209.0905
Pilocarpine
Pilocarpine
ME432472
-
-
2.753
209.12828
IS_TRYPTOPHAN-2,4,5,6,7-D5
-
ME432473
-
-
2.524
210.1274
Cyclo(Leu-Pro)
Cyclo(-Leu-Pro)
ME432474
-
-
4.847
211.14114
4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-...
-
ME432475
-
-
10.637
213.18213
Propionyl-carnitine
CAR 3:0
ME432476
-
-
1.239
218.1358
Ethoxyquin
Ethoxyquin
ME432477
-
-
18.537
218.14877
N-Acetyl-5-hydroxytryptamine
N-Acetylserotonin
ME432478
-
-
4.514
219.11168
Serylleucine
Ser-Leu
ME432479
-
-
2.304
219.13193
Pterosin B
Pterosin B
ME432480
-
-
8.967
219.13904
4,6-Di-tert-butyl-m-cresol
-
ME432481
-
-
12.545
219.17166
4-Nonylphenol
-
ME432482
-
-
9.36
219.17412
Pantothenate
Pantothenic acid
ME432483
-
-
1.913
220.11722
Diethyl-phthalate
Diethyl phthalate
ME432484
-
-
15.287
223.09477
Mono-iso-butyl phthalate
Monoisobutyl phthalate
ME432485
-
-
15.219
223.09805
N-Acetyl-tyrosine; LC-tDDA; CE20
N-Acetyltyrosine
ME432486
-
-
2.772
224.09216
4-Hydroxybenzoylcholine
-
ME432487
-
-
29.023
224.12755
2-Hydroxychalcone
2-Hydroxychalcone
ME432488
-
-
4.169
225.08954
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-ph...
Scoparone
ME432489
-
-
4.817
225.10893
Dicyclohexylurea
-
ME432490
-
-
10.315
225.19524
Urolithin A
Urolithin A
ME432491
-
-
4.423
229.04947
Dodecanedioic acid
Dodecanedioic acid
ME432492
-
-
8.059
229.14168
Ergothioneine; LC-tDDA; CE30
Ergothioneine
ME432493
-
-
0.825
230.0945
N,N-Dimethyldodecylamine N-oxide
N,N-Dimethyldodecylamine N-oxide
ME432494
-
-
11.107
230.24623
Lauryldimethylamine Oxide
-
ME432495
-
-
11.052
230.24702
Naproxen
Naproxen
ME432496
-
-
10.223
231.1015
7-Diethylamino-4-methylcoumarin
7-Diethylamino-4-methylcoumarin
ME432497
-
-
9.52
232.13109
Isobutyryl-carnitine; LC-tDDA; CE10
CAR 4:0
ME432498
-
-
2.444
232.15303
Butyryl-carnitine; AIF; CE10; CorrDec
CAR 4:0
ME432499
-
-
2.283
232.15517
Threonylleucine (isomer of 809, 926)
Thr-Leu
ME432500
-
-
2.019
233.1467
(+)-Costunolide
Costunolide
ME432501
-
-
6.602
233.15108
Pterosin G
Pterosin G
ME432502
-
-
6.633
235.13092
Walleminone
Walleminone
ME432503
-
-
4.753
235.16943
Dropropizine
Dropropizine
ME432504
-
-
2.699
237.15915
5-hydroxyculmorin
5-Hydroxyculmorin
ME432505
-
-
12.604
237.18332
Velvione
Velvione
ME432506
-
-
13.905
237.21748
Ketamine
Ketamine
ME432507
-
-
5.336
238.09843
Mefenamic acid
Mefenamic acid
ME432508
-
-
14.87
240.10069
Dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME432509
-
-
1.051
240.10974
Albuterol
Albuterol
ME432510
-
-
6
240.15759
dimethyl(tetradecyl)amine
-
ME432511
-
-
14.195
242.28239
dioctylamine
Dioctylamine
ME432512
-
-
12.775
242.28275
7,8-dimethylalloxazine (lumichrome)
Lumichrome
ME432513
-
-
5.87
243.08673
Thymidine; LC-tDDA; CE30
Thymidine
ME432514
-
-
1.439
243.0977
Equol
Equol
ME432515
-
-
6.091
243.10022
N-ACETYLGALACTOSAMINE
N-Acetyl-D-galactosamine
ME432516
-
-
0.816
244.07921
N-lauroylethanolamine
Lauroyl-EA
ME432517
-
-
12.787
244.22719
Biotin
Biotin
ME432518
-
-
4.119
245.09427
Leucyl-leucine; LC-tDDA; CE40
Leu-Leu
ME432519
-
-
4.538
245.18459
Leucyl-leucine; LC-tDDA; CE30
Leu-Leu
ME432520
-
-
4.207
245.18706
Valeryl-carnitine; AIF; CE10; CorrDec
CAR 5:0
ME432521
-
-
3.796
246.16847
Indole-3-acetyl-L-alanine
-
ME432522
-
-
5.806
247.10805
N-Acetyl-tryptophan; LC-tDDA; CE40
N-Acetyl-tryptophan
ME432523
-
-
5.491
247.10808
Atractylenolide III
-
ME432524
-
-
8.951
247.13261
Tryptophan betaine
Lenticin
ME432525
-
-
3.121
247.14336
Meperidine
Meperidine
ME432526
-
-
4.334
248.16234
Pterosin A
Pterosin A
ME432527
-
-
9.18
249.1476
4,4'-Sulfonyldiphenol
4,4'-Sulfonyldiphenol
ME432528
-
-
6.237
251.03751
Lidocaine-N-Oxide
-
ME432529
-
-
3.561
251.17567
2-Deoxyadenosine; LC-tDDA; CE10
Deoxyadenosine
ME432530
-
-
1.065
252.10825
6-Methylflavonol
-
ME432531
-
-
7.669
253.08607
Phenytoin
Phenytoin
ME432532
-
-
8.555
253.09741
NCGC00380830-01!methyl 2-[(2-hydroxy-3-methylbutan...
-
ME432533
-
-
7.877
254.13751
Anabasamine
Anabasamine
ME432534
-
-
1.147
254.1595
1-Dodecyl-2-pyrrolidinone
-
ME432535
-
-
20.176
254.24777
Daidzein
Daidzein
ME432536
-
-
6.792
255.06453
Liquiritigenin
Liquiritigenin
ME432537
-
-
6.894
257.08008
1,4-Chrysenequinone
1,4-Chrysenequinone
ME432538
-
-
1.983
258.06815
SN-GLYCERO-3-PHOSPHOCHOLINE
sn-Glycero-3-phosphocholine
ME432539
-
-
0.823
258.10779
Lauric isopropanolamide
-
ME432540
-
-
11.563
258.24356
dibutyladipate
Dibutyl adipate
ME432541
-
-
14.931
259.18787
6-Acetyl-1,1,2,4,4,7-hexamethyltetralin
-
ME432542
-
-
16.852
259.20599
Hexanoyl-L-Carnitine
CAR 6:0
ME432543
-
-
5.349
260.18546
Hexanoyl-carnitine; AIF; CE30; CorrDec
CAR 6:0
ME432544
-
-
5.443
260.18607
ALPHA-D-GLUCOSE 1-PHOSPHATE
Glucose 1-phosphate
ME432545
-
-
0.897
261.03476
Diaveridine
Diaveridine
ME432546
-
-
2.818
261.13312
gamma-Glutamylleucine
gamma-Glutamylleucine
ME432547
-
-
2.903
261.1441
Flumequine
Flumequine
ME432548
-
-
1.319
262.08456
Tramadol
Tramadol
ME432549
-
-
5.303
264.19373
2',2'-Difluoro-2'-deoxyuridine
-
ME432550
-
-
5.876
265.06824
THIAMINE
Thiamine
ME432551
-
-
0.677
265.1095
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME432552
-
-
3.749
265.11841
Magnolol
Magnolol
ME432553
-
-
4.894
265.12119
Caffeoylcholine
Caffeoylcholine
ME432554
-
-
3.881
266.13803
Formononetin
Formononetin
ME432555
-
-
0.847
267.05777
Atenolol
Atenolol
ME432556
-
-
1.952
267.17065
Tri-N-butyl phosphate
Tributyl phosphate
ME432557
-
-
14.488
267.17123
Adenosine
Adenosine
ME432558
-
-
1.058
268.10385
Atenolol acid
-
ME432559
-
-
3.527
268.15417
Inosine
Inosine
ME432560
-
-
1.071
269.08591
N-Acetylcarnosine
N-Acetylcarnosine
ME432561
-
-
0.858
269.12485
Estrone
Estrone
ME432562
-
-
1.549
269.14868
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]...
-
ME432563
-
-
4.349
269.17413
h_60_epimethendiol
-
ME432564
-
-
17.44
269.22455
Genistein
Genistein
ME432565
-
-
7.98
271.05884
Nordiazepam
-
ME432566
-
-
9.178
271.06299
17beta-Trenbolone
17beta-Trenbolone
ME432567
-
-
3.204
271.16553
Estriol
Estriol
ME432568
-
-
8.112
271.20462
Citrinin
Citrinin
ME432569
-
-
7.746
273.07147
5,6-Benzoflavone
5,6-Benzoflavone
ME432570
-
-
7.818
273.09042
Galaxolidone
Galaxolidone
ME432571
-
-
4.184
273.1788
Sclareol
Sclareol
ME432572
-
-
18.258
273.25967
Lauryldiethanolamine
N-Lauryldiethanolamine
ME432573
-
-
11.011
274.27118
Flufenacet ESA
-
ME432574
-
-
12.078
276.06747
MMV688469
-
ME432575
-
-
5.163
276.12619
Glutaryl-carnitine; AIF; CE10; MS2Dec
CAR DC5:0
ME432576
-
-
0.86
276.13953
Glutaryl-carnitine; AIF; CE30; CorrDec
CAR DC5:0
ME432577
-
-
1.112
276.14429
FA 18:3+1O
Octadecatrienoic acid
ME432578
-
-
14.689
277.21466
y-Linolenic acid
gamma-Linolenic acid
ME432579
-
-
16.287
277.21469
Triphenylphosphine oxide
-
ME432580
-
-
10.446
279.09399
Di-n-butyl phthalate
Dibutyl phthalate
ME432581
-
-
15.876
279.15549
Diisobutyl phthalate
Diisobutyl phthalate
ME432582
-
-
22.395
279.15994
Dibutylphthalate
Dibutyl phthalate
ME432583
-
-
17.008
279.16052
LINOLENIC ACID
Octadecatrienoic acid
ME432584
-
-
17.107
279.2305
Feruloylcholine
Feruloylcholine
ME432585
-
-
4.175
280.15274
ASP-PHE
Asp-Phe
ME432586
-
-
3.166
281.11203
Enterolactone
Enterolactone
ME432587
-
-
8.674
281.11746
Linoleic acid
Linoleic acid
ME432588
-
-
16.778
281.24557
N6-Me-Adenosine
N6-Methyladenosine
ME432589
-
-
1.227
282.11658
Oleamide
Oleamide
ME432590
-
-
17.543
282.27682
Laurocapram
Laurocapram
ME432591
-
-
17.603
282.28015
Dodemorph
-
ME432592
-
-
13.22
282.28021
Hexaethylene glycol
Hexaethylene glycol
ME432593
-
-
3.463
283.17676
ELAIDIC ACID
Elaidic acid
ME432594
-
-
18.92
283.26114
Guanosine
Guanosine
ME432595
-
-
1.066
284.09824
Stearamide
Stearamide
ME432596
-
-
20.467
284.29495
Glycitein
Glycitein
ME432597
-
-
7.038
285.07385
Diazepam
Diazepam
ME432598
-
-
10.457
285.07755
Acacetin
Acacetin
ME432599
-
-
10.287
285.07855
Xanthosine
Xanthosine
ME432600
-
-
1.134
285.08136
NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimeth...
-
ME432601
-
-
12.081
285.21933
GLYCEROL-MYRISTATE
MG 14:0
ME432602
-
-
22.661
285.24274
N-Acetylcytidine
N4-Acetylcytidine
ME432603
-
-
1.361
286.10513
Piperine
Piperine
ME432604
-
-
11.262
286.14151
Morphine
Morphine
ME432605
-
-
6.063
286.14429
Octenoyl-carnitine; LC-tDDA; CE10
CAR 8:1
ME432606
-
-
7.42
286.19998
Pentadecanoyl Ethanolamide
Pentadecanoyl-EA
ME432607
-
-
13.231
286.27264
C17_Sphingosine
C17 Sphingosine
ME432608
-
-
12.528
286.27332
(4R)-3-methylidene-4-[(E)-3-methyl-4-(4-methyl-5-o...
-
ME432609
-
-
3.752
287.10068
4-Androstene-3,17-dione
Androstenedione
ME432610
-
-
8.513
287.20108
NCGC00384643-01_C20H32O2_(2E)-3-Methyl-5-[(1S,8aS)...
-
ME432611
-
-
17.861
287.23575
h_52_drostanolone-m
-
ME432612
-
-
19.83
287.23654
C.I. Basic Red 9
-
ME432613
-
-
7.862
288.14651
OCTANOYLCARNITINE
CAR 8:0
ME432614
-
-
7.34
288.2179
Lauryl diethanolamide
Lauroyl diethanolamide
ME432615
-
-
12.542
288.25031
Sphinganine (C17 base)
C17 Sphinganine
ME432616
-
-
12.729
288.28851
OPHTHALMIC ACID
Ophthalmic acid
ME432617
-
-
1.068
290.13086
Benzoylecgonine
Benzoyl ecgonine
ME432618
-
-
0.835
290.13531
Adipoyl-carnitine; LC-tDDA; CE10
CAR DC5:0
ME432619
-
-
2.803
290.15848
Adipoyl-carnitine; LC-tDDA; CE20
CAR DC5:0
ME432620
-
-
1.591
290.15881
Adipoyl-carnitine; LC-tDDA; CE40
CAR DC5:0
ME432621
-
-
1.804
290.15897
ANDROSTERONE
Androsterone
ME432622
-
-
10.138
291.2337
FA 18:2+O
-
ME432623
-
-
13.175
293.2088
9-HOTrE
9-HOTrE
ME432624
-
-
10.397
293.20917
8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octan...
-
ME432625
-
-
9.1
293.21164
N-Acetylmuramic Acid
N-Acetylmuramic acid
ME432626
-
-
1.126
294.11346
NCGC00385854-01_C14H19N3O4_N~5~-Carbamoyl-N~2~-(ph...
-
ME432627
-
-
4.122
294.14352
OCP_295.0845_17.0
-
ME432628
-
-
1.45
295.08334
Troxipide
Troxipide
ME432629
-
-
3.264
295.16425
[6]-Gingerol
Gingerol
ME432630
-
-
12.498
295.18726
9-HODE
9-HODE
ME432631
-
-
11.174
295.22427
13-OxoODE
13-Oxo-ODE
ME432632
-
-
14.694
295.22461
Dothiepin
Dothiepin
ME432633
-
-
3.001
296.14752
Disulfiram
Disulfiram
ME432634
-
-
13.591
297.06213
4-(2,5-Diethoxy-4-nitrophenyl)morpholine
-
ME432635
-
-
3.271
297.14365
Norethindrone
Norethindrone
ME432636
-
-
3.907
297.17923
NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)oc...
-
ME432637
-
-
11.847
297.23944
5-S-Methylthioadenosine; LC-tDDA; CE30
-
ME432638
-
-
2.537
298.09668
Methylthioadenosine
Methylthioadenosine
ME432639
-
-
2.465
298.09711
5-OHMe-Ur
-
ME432640
-
-
1.25
298.11118
N1-Methylguanosine; LC-tDDA; CE40
1-Methylguanosine
ME432641
-
-
1.122
298.11212
Roquefortine A
Roquefortine A
ME432642
-
-
3.206
299.1712
9(10)-EpOME-[d4]
-
ME432643
-
-
16.426
299.25833
12(13)-EpOME-[d4]
-
ME432644
-
-
13.241
299.25864
Lycopsamine
Lycopsamine
ME432645
-
-
4.102
300.17831
D-sphingosine
Sphingosine
ME432646
-
-
13.155
300.28644
DErySphingosine
Sphingosine
ME432647
-
-
13.294
300.28775
Chrysoeriol
Chrysoeriol
ME432648
-
-
8.185
301.07007
Nordihydroguaiaretic acid
Nordihydroguaiaretic Acid
ME432649
-
-
17.468
301.13916
Trachelanthine
Trachelanthine
ME432650
-
-
5.893
302.19528
SPHINGANINE
Sphinganine
ME432651
-
-
13.617
302.30258
2,2'-(Tetradecylimino)diethanol
-
ME432652
-
-
12.543
302.30328
17-Methyltestosterone
17-Methyltestosterone
ME432653
-
-
15.089
303.23044
Methyltestosterone
17-Methyltestosterone
ME432654
-
-
17.038
303.23056
NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimeth...
-
ME432655
-
-
17.127
303.23102
h_128_methyl_1_testosterone
-
ME432656
-
-
25.79
303.23138
Fenpropimorph
-
ME432657
-
-
17.442
304.26138
N-Acetyl-Asp-Glu
N-Acetyl-Asp-Glu
ME432658
-
-
1.087
305.09506
(4S,4aR,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl...
-
ME432659
-
-
17.956
305.24692
Epigallocatechin
Epigallocatechin
ME432660
-
-
1.077
307.08105
NCGC00142553-05!5,7-dimethoxy-2-phenyl-2,3-dihydro...
-
ME432661
-
-
9.907
307.09619
NCGC00180676-03_C20H36O3_1-Naphthalenepentanoic ac...
-
ME432662
-
-
18.419
307.26465
Glutathione (reduced)
Glutathione
ME432663
-
-
0.851
308.09036
Nadolol
Nadolol
ME432664
-
-
7.477
310.20166
gamma-Glutamyltyrosine
gamma-Glutamyltyrosine
ME432665
-
-
1.61
311.12137
alpha-Glutamyl-Tyrosine
Glu-Tyr
ME432666
-
-
1.561
311.12155
N2_N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME432667
-
-
1.728
312.12686
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME432668
-
-
1.673
312.13019
N,N-Dimethylguanosine; LC-tDDA; CE40
N2,N2-Dimethylguanosine
ME432669
-
-
1.597
312.13062
Benzyl-butyl-phthalate
Benzyl butyl phthalate
ME432670
-
-
15.056
313.14215
Phenylalanylphenylalanine; LC-tDDA; CE40
Phe-Phe
ME432671
-
-
5.407
313.15585
Heptadecanoyl Ethanolamide
Margaroyl-EA
ME432672
-
-
17.099
314.30569
Intermedine N-oxide
Intermedine N-oxide
ME432673
-
-
3.214
316.17496
DECANOYLCARNITINE
CAR 10:0
ME432674
-
-
9.809
316.24805
Dehydrophytosphingosine (not validated, isomer of ...
-
ME432675
-
-
12.124
316.28482
NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)pe...
-
ME432676
-
-
15.294
317.11163
Zearalenone
Zearalenone
ME432677
-
-
11.647
317.13712
Traversianal
Traversianal
ME432678
-
-
13.799
317.21136
h_315_oxymetholone_m2
-
ME432679
-
-
19.045
317.24731
2-(3-Hydroxycyclohexyl)-5-(2-methyl-2-octanyl)phen...
-
ME432680
-
-
10.532
317.24734
Phytosphingosine (not validated, isomer of 1696)
-
ME432681
-
-
11.215
318.29794
D-ribo-Phytosphingosine
Phytosphingosine
ME432682
-
-
12.763
318.29996
Exemestane
Exemestane
ME432683
-
-
3.524
319.16626
Decanoyl-L-carnitine D3
-
ME432684
-
-
10.2
319.26752
alpha-Linolenoyl Ethanolamide
alpha-Linolenoyl-EA
ME432685
-
-
14.995
322.27304
Bis(2-ethylhexyl)phosphate
-
ME432686
-
-
16.717
323.23416
Linoleoyl Ethanolamide
Linoleoyl-EA
ME432687
-
-
15.885
324.28967
SSR180711
-
ME432688
-
-
1.502
325.05286
Citalopram
Citalopram
ME432689
-
-
7.943
325.17221
Heneicosanoic acid
Heneicosylic acid
ME432690
-
-
14.07
325.31659
N-Oleoylethanolamine
Oleoyl-EA
ME432691
-
-
16.872
326.3038
Triphenyl phosphate (TPP)
Triphenyl phosphate
ME432692
-
-
13.982
327.07697
Acetaminophen glucuronide
p-Acetamidophenylglucuronide
ME432693
-
-
1.254
328.10147
NALOXONE
Naloxone
ME432694
-
-
2.155
328.15182
Trilostane
-
ME432695
-
-
6.466
328.1926
Stearoyl Ethanolamide
Stearoyl-EA
ME432696
-
-
17.879
328.31992
Docosahexaenoic acid
Docosahexaenoic acid
ME432697
-
-
17.761
329.2468
Sinomenine
Sinomenine
ME432698
-
-
6.052
330.17108
Heliotrine N-oxide
Heliotrine N-oxide
ME432699
-
-
4.252
330.18927
Tricin
Tricin
ME432700
-
-
8.15
331.07883
Ceratodictyol
-
ME432701
-
-
23.828
331.28311
MMV028694
-
ME432702
-
-
6.696
333.14301
NCGC00385110-01_C20H38O2_(2R)-1-(5-Hydroxy-3-methy...
-
ME432703
-
-
18.945
333.2771
Seneciphylline
Seneciphylline
ME432704
-
-
17.99
334.15521
N6-Isopentenyladenosine
N6-Isopentenyladenosine
ME432705
-
-
5.279
336.16766
Erucamide
13Z-Docosenamide
ME432706
-
-
18.748
338.33835
lithocholic acid
Lithocholic acid
ME432707
-
-
15.236
341.28363
Naltrexone
Naltrexone
ME432708
-
-
9.109
342.1705
NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic ac...
-
ME432709
-
-
6.424
343.22226
NCGC00169595-03_C20H32O3_[(2R,5R,8a'S)-2',5,5',5',...
-
ME432710
-
-
15.094
343.22568
Lauramidopropyl betaine
Lauramidopropyl betaine
ME432711
-
-
11.068
343.29572
Dibucaine
Dibucaine
ME432712
-
-
7.889
344.2403
LAUROYLCARNITINE
CAR 12:0
ME432713
-
-
11.94
344.27747
Corticosterone
Corticosterone
ME432714
-
-
7.634
347.21924
DodeDecanoyl-L-carnitine D3
-
ME432715
-
-
11.881
347.29547
Adenosine 5'-monophosphate
AMP
ME432716
-
-
1.081
348.06857
Adenosine monophosphate (AMP)
AMP
ME432717
-
-
2.932
348.06906
(Z)-5,8,11-trihydroxyoctadec-9-enoic acid
-
ME432718
-
-
9.631
348.27399
Arachidonoyl Ethanolamide
Arachidonoyl-EA
ME432719
-
-
16.069
348.28931
Imidocarb
Imidocarb
ME432720
-
-
3.948
349.18234
AM580
-
ME432721
-
-
16.6
352.18579
Oleyl sarcosine
-
ME432722
-
-
17.511
354.29889
Cholic acid
Cholic acid
ME432723
-
-
10.235
355.25961
(4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13...
-
ME432724
-
-
13.127
355.26328
DEOXYCHOLATE
Deoxycholic acid
ME432725
-
-
13.032
357.27582
URSODEOXYCHOLATE
Ursodeoxycholic acid
ME432726
-
-
18.738
357.27896
Monoolein
MG 18:1
ME432727
-
-
17.809
357.29742
1-OLEOYL-RAC-GLYCEROL
MG 18:1
ME432728
-
-
17.997
357.29965
??-Gentiobiose
-
ME432729
-
-
0.836
360.14609
LACTULOSE
Lactulose
ME432730
-
-
0.896
360.14847
Cortisone
Cortisone
ME432731
-
-
7.895
361.20267
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-...
-
ME432732
-
-
7.369
363.21371
2-methoxy-4-pentadecylbenzoic acid
2-Methoxy-4-pentadecyl-benzoic acid
ME432733
-
-
15.786
363.2916
TREHALOSE
Trehalose
ME432734
-
-
0.784
365.10364
NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymeth...
-
ME432735
-
-
7.083
365.19202
THE
-
ME432736
-
-
7.62
365.23267
Dehydrocorydaline
Dehydrocorydaline
ME432737
-
-
10.735
366.16916
Cholesterol
Cholesterol
ME432738
-
-
25.977
369.34958
(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-ox...
-
ME432739
-
-
13.47
371.25821
(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3...
-
ME432740
-
-
10.596
371.2583
Myristamidopropyl betaine
Myristamidopropyl betaine
ME432741
-
-
12.697
371.32602
Trazodone
Trazodone
ME432742
-
-
6.74
372.15738
Crystal violet
-
ME432743
-
-
11.842
372.24533
Myristoyl-carnitine; LC-tDDA; CE30
CAR 14:0
ME432744
-
-
13.371
372.31024
Myristoyl-carnitine; LC-tDDA; CE20
CAR 14:0
ME432745
-
-
13.293
372.31067
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihy...
-
ME432746
-
-
12.19
373.27179
(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12...
-
ME432747
-
-
11.33
373.27179
hyocholic acid
Hyocholic acid
ME432748
-
-
9.876
373.272
(R)-4-((3R,5R,6R,8R,9S,10R,12S,13R,14S,17R)-3,6,12...
-
ME432749
-
-
11.254
373.27222
CHOLATE
Cholic acid
ME432750
-
-
7.958
373.27252
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,...
-
ME432751
-
-
13.127
373.27475
Hetisine
-
ME432752
-
-
10.642
374.19946
Hydroxyzine
Hydroxyzine
ME432753
-
-
9.168
375.18192
3-Ketocholanic Acid
Dehydrolithocholic acid
ME432754
-
-
11.476
375.2861
deoxycholic acid
Deoxycholic acid
ME432755
-
-
11.353
375.28818
PharmaGSID_48507
-
ME432756
-
-
3.702
377.14536
RIBOFLAVIN
Riboflavin
ME432757
-
-
3.909
377.14667
NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymeth...
-
ME432758
-
-
6.32
379.20844
6-beta-Hydroxycortisol
6beta-Hydroxycortisol
ME432759
-
-
4.142
379.21103
MAG
-
ME432760
-
-
17.733
379.27701
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphe...
-
ME432761
-
-
6.735
381.18146
NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7...
-
ME432762
-
-
8.906
381.20248
Isorhynchophylline
Isorhynchophylline
ME432763
-
-
15.597
383.20883
Cholest-4,6-Dien-3-One
4,6-Cholestadienone
ME432764
-
-
21.401
383.32959
N6-Succinyladenosine; AIF; CE30; MS2Dec
Succinyladenosine
ME432765
-
-
1.535
384.11371
N6-Succinyladenosine; AIF; CE0; MS2Dec
Succinyladenosine
ME432766
-
-
1.648
384.11417
Quetiapine
Quetiapine
ME432767
-
-
7.321
384.17505
S-Adenosyl-homocysteine (SAH); LC-tDDA; CE30
S-Adenosylhomocysteine
ME432768
-
-
1.058
385.12656
S-Adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME432769
-
-
0.94
385.13071
Resibufogenin
Resibufogenin
ME432770
-
-
10.495
385.23441
4-Cholesten-3-one
Cholestenone
ME432771
-
-
21.775
385.34485
(3S,8S,9S,10R,13R,14S,17R)-17-((2R)-7-hydroxy-6-me...
-
ME432772
-
-
16.89
385.34641
Buspirone
Buspirone
ME432773
-
-
7.904
386.25595
methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7...
-
ME432774
-
-
12.161
387.28955
Cetirizine
Cetirizine
ME432775
-
-
9.388
389.16147
(R)-4-((3R,5R,6R,7R,8R,9S,10R,12S,13R,14S,17R)-3,6...
-
ME432776
-
-
8.248
389.26797
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-...
-
ME432777
-
-
9.292
389.26822
3?-Hydroxy-12 Ketolithocholic Acid
-
ME432778
-
-
12.264
391.28137
Dioctyl Phthalate
Dioctyl phthalate
ME432779
-
-
23.714
391.28149
3?-Hydroxy-7 Ketolithocholic Acid
-
ME432780
-
-
11.259
391.2822
(4R)-4-((1R,3S,5S,7R,9S,10S,13R,14S,17R)-1,3,7-tri...
-
ME432781
-
-
9.878
391.28235
(R)-4-((3S,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-t...
-
ME432782
-
-
10.054
391.28256
(4R)-4-((3R,5S,7S,9S,10S,12S,13R,14S,17R)-3,7,12-t...
-
ME432783
-
-
13.127
391.28433
(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-tri...
-
ME432784
-
-
10.224
391.28455
(4R)-4-((3S,5R,9S,10S,13R,14S,17R)-3-hydroxy-10,13...
-
ME432785
-
-
10.836
391.28516
Trospium
Trospium
ME432786
-
-
9.34
392.22235
dG-C8-4-CA
-
ME432787
-
-
4.046
393.11249
Octaethylene glycol
Octaethylene glycol
ME432788
-
-
4.366
393.20905
N-Oleyl-Leucine
N-Oleoyl leucine
ME432789
-
-
15.236
394.32886
Ethylrhoeagenine
-
ME432790
-
-
12.355
398.15988
S-(5'-Adenosyl)-L-methionine
S-Adenosylmethionine
ME432791
-
-
0.673
399.15036
Tri(butoxyethyl) phosphate
Tri(butoxyethyl)phosphate
ME432792
-
-
15.292
399.25
Tri(butoxyethyl)phosphate
Tri(butoxyethyl)phosphate
ME432793
-
-
15.384
399.25125
Palmitoyl-carnitine; LC-tDDA; CE20
CAR 16:0
ME432794
-
-
14.804
400.34204
NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trim...
-
ME432795
-
-
14.218
401.22833
7-Oxocholesterol
7-Oxo-cholesterol
ME432796
-
-
19.436
401.33701
Acetyl tributyl citrate
Retinoic acid
ME432797
-
-
16.898
403.23145
5-Cholesten-3-beta-7-alpha-diol
7alpha-Hydroxy-cholesterol
ME432798
-
-
14.794
403.35867
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-...
-
ME432799
-
-
18.57
404.31616
5?-CHOLANIC ACID-3?-OL-6_7-DIONE
-
ME432800
-
-
8.193
405.26132
methyl (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,15S,17R)...
-
ME432801
-
-
12.416
405.29871
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7...
-
ME432802
-
-
10.491
407.27649
MMV688990
-
ME432803
-
-
14.205
408.32553
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta...
-
ME432804
-
-
4.365
409.18195
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL
-
ME432805
-
-
10.775
409.29178
(R)-4-((3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-t...
-
ME432806
-
-
9.881
409.29385
STIGMASTA-4,22-DIEN-3-ONE
Stigmasta-4,22-dien-3-one
ME432807
-
-
22.4
411.36218
N6-Threonylcarbamoyladenosine
N6-Carbamoyl-L-threonyladenosine
ME432808
-
-
2.993
413.14294
2-acetoxy-4-pentadecylbenzoic acid
2-Acetoxy-4-pentadecyl-benzoic acid
ME432809
-
-
21.416
413.26376
delta4-Dafachronic acid
-
ME432810
-
-
16.191
413.30222
GLYCOCHENODEOXYCHOLATE
Glycochenodeoxycholic acid
ME432811
-
-
9.948
414.29929
glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME432812
-
-
11.509
414.29932
Solasodin
Solasodine
ME432813
-
-
11.964
414.33093
7-Hydroxymitragynine
7-Hydroxymitragynine
ME432814
-
-
6.138
415.22345
Tentoxin
Tentoxin
ME432815
-
-
17.535
415.23245
Diosgenin
Diosgenin
ME432816
-
-
11.969
415.31909
(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-17-((R)-7-hyd...
-
ME432817
-
-
10.575
417.33569
Linoleyl-carnitine; LC-tDDA; CE20
CAR 18:2
ME432818
-
-
14.457
424.33905
Linoleyl-carnitine; AIF; CE30; CorrDec
CAR 18:2
ME432819
-
-
14.281
424.34122
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-...
-
ME432820
-
-
18.566
426.29575
URSOCHOLIC ACID
Ursocholic acid
ME432821
-
-
8.556
426.3194
Oleoyl-carnitine; LC-tDDA; CE20
CAR 18:1
ME432822
-
-
15.029
426.35678
Adenosine_Diphosphate
ADP
ME432823
-
-
1.137
428.03409
Stearoyl-carnitine; LC-tDDA; CE20
CAR 18:0
ME432824
-
-
15.956
428.36847
N-Oleoyl-Phenylalanine
N-Oleoyl phenylalanine
ME432825
-
-
18.96
430.33157
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-o...
-
ME432826
-
-
3.467
431.09448
NCGC00178486-02!5-hydroxy-2-(4-hydroxyphenyl)-7-[(...
-
ME432827
-
-
10.981
431.09454
Bufalin
-
ME432828
-
-
10.217
431.24136
isochromophilone VI
-
ME432829
-
-
2.409
434.17493
Glycolithocholic acid
Glycolithocholic acid
ME432830
-
-
13.486
434.32639
Bis[2-(2-butoxyethoxy)ethyl] hexandioate
-
ME432831
-
-
14.636
435.29294
Nonaethylene glycol
Nonaethylene glycol
ME432832
-
-
4.728
437.23441
4-OHE2-1-N7Gua
-
ME432833
-
-
4.449
438.21371
Daidzin
Daidzin
ME432834
-
-
2.861
439.10117
1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine
-
ME432835
-
-
11.56
440.27762
Oleanane -4H, + 2O
-
ME432836
-
-
14.728
441.37177
Folic acid
Folic acid
ME432837
-
-
2.718
442.14682
Baicalin
Baicalin
ME432838
-
-
5.256
447.08975
Luteolin-7-O-glucoside
Luteolin-7-O-glucoside
ME432839
-
-
11.015
447.09604
GLYCOCHENODEOXYCHOLIC ACID
Glycochenodeoxycholic acid
ME432840
-
-
10.729
448.30447
Arachidonoyl-carnitine; LC-tDDA; CE30
CAR 20:4
ME432841
-
-
14.461
448.3414
Glycodeoxycholic acid
Glycodeoxycholic acid
ME432842
-
-
11.438
450.3194
Glycochenodeoxycholic acid; LC-tDDA; CE40
Glycochenodeoxycholic acid
ME432843
-
-
9.94
450.31943
Glycochenodeoxycholic acid; LC-tDDA; CE20
Glycochenodeoxycholic acid
ME432844
-
-
11.809
450.3197
NCGC00384740-01_C21H34O9_2(1H)-Azulenone, 6-(beta-...
-
ME432845
-
-
4.708
453.22162
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...
LPE 16:0/0:0
ME432846
-
-
14.182
454.29089
oroxindin
Oroxindin
ME432847
-
-
4.449
461.1088
Morphine_3_Glucuronide
Morphine-3-glucuronide
ME432848
-
-
2.126
462.17593
taurocholic acid
Taurocholic acid
ME432849
-
-
9.1
462.26639
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME432850
-
-
8.937
464.2829
Glycocholic Acid
Glycocholic acid
ME432851
-
-
8.16
466.3114
Glycohyocholic acid
Glycohyocholic acid
ME432852
-
-
9.438
466.31689
(E,6S)-7-hydroxy-2-methyl-6-[(10S,13S,14S,17S)-4,4...
-
ME432853
-
-
11.1
471.3465
alpha-TOCHOPHERYL ACETATE
-
ME432854
-
-
23.811
473.39667
Raloxifene
Raloxifene
ME432855
-
-
2.891
474.17535
LPE 18:3
LPE 18:3
ME432856
-
-
13.437
476.27426
LPE 18:2
LPE 18:2
ME432857
-
-
13.847
478.29053
NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]...
-
ME432858
-
-
14.116
478.29291
2-((4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-...
-
ME432859
-
-
7.836
480.2767
LPE 18:1
LPE 18:1
ME432860
-
-
14.716
480.30438
Decaethylene glycol
Decaethylene glycol
ME432861
-
-
5.045
481.25885
tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME432862
-
-
10.266
482.29181
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...
-
ME432863
-
-
13.586
482.32065
NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S...
-
ME432864
-
-
9.781
487.3031
PC(16:0/0:0)
LPC 16:0/0:0
ME432865
-
-
18.462
496.33588
LPC 16:0
LPC 16:0
ME432866
-
-
14.243
496.33859
(6R)-2-(hydroxymethyl)-6-((3R,5R,7R,8R,9S,10S,12S,...
-
ME432867
-
-
10.571
497.2933
2-((4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10...
-
ME432868
-
-
7.839
498.28802
taurodeoxycholic acid
Taurodeoxycholic acid
ME432869
-
-
10.682
500.30164
Taurodeoxycholate
Taurodeoxycholic acid
ME432870
-
-
10.362
500.30212
2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dih...
-
ME432871
-
-
10.488
500.30496
hypericin
Hypericin
ME432872
-
-
6.338
503.14706
MALTOTRIOSE
Maltotriose
ME432873
-
-
0.902
505.177
1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...
LPC 17:0/0:0
ME432874
-
-
15.144
510.35324
Cucurbitacin I
-
ME432875
-
-
2.652
513.30499
2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihy...
-
ME432876
-
-
8.108
514.28326
Taurocholate
Taurocholic acid
ME432877
-
-
6.667
516.29419
?-Tauromuricholic acid
Tauromuricholic acid
ME432878
-
-
7.836
516.29749
LPC 18:3
LPC 18:3
ME432879
-
-
13.664
518.32031
LPC 18:2
LPC 18:2
ME432880
-
-
14.383
520.33752
Melezitose
Melezitose
ME432881
-
-
0.801
522.203
LPC 18:1
LPC 18:1
ME432882
-
-
14.775
522.35284
1-Stearoyl-sn-glycero-3-phosphocholine
LPC 18:0/0:0
ME432883
-
-
18.487
524.36816
LysoPC(0:0/18:0)
LPC 0:0/18:0
ME432884
-
-
15.787
524.37085
Flavone base + 3O, 2MeO, O-guaiacylglycerol
-
ME432885
-
-
8.674
527.15411
Ceramide (d18:1/16:0)
Cer 18:1;O2/16:0
ME432886
-
-
23.131
538.51599
18:1(2S-OH) Ceramide
-
ME432887
-
-
23.301
540.5304
Leucine_Enkephalin
-
ME432888
-
-
6.329
556.27533
Ceramide (d18:1/18:0)
Cer 18:1;O2/18:0
ME432889
-
-
23.816
566.55005
(2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,12S,13R,14S,...
-
ME432890
-
-
11.579
569.33136
Biliverdin
Biliverdin
ME432891
-
-
17.132
583.2514
N-C18:0 Phytoceramide
Cer 18:0;O3/18:0
ME432892
-
-
23.252
584.55927
Bilirubin
Bilirubin
ME432893
-
-
17.627
585.26813
(2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,1...
-
ME432894
-
-
9.416
585.32416
Deoxykhivorin
-
ME432895
-
-
17.595
593.27417
Stercobilin
L-Urobilin
ME432896
-
-
7.811
595.34564
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl...
-
ME432897
-
-
5.903
609.17932
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,...
-
ME432898
-
-
6.328
609.18414
Reserpine
Reserpine
ME432899
-
-
15.253
609.27637
Glutathione oxidized
Glutathione
ME432900
-
-
0.828
613.1568
N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enam...
-
ME432901
-
-
24.989
630.61731
3'-Dephosphocoenzyme A
3'-Dephospho-CoA
ME432902
-
-
1.639
688.15802
DG(20:5/0:0/20:5) (d5)
DG 20:5/0:0/20:5*
ME432903
-
-
20.164
688.49286
DG(20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)) (d...
DG 20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)*
ME432904
-
-
21.547
692.52332
SPHINGOMYELIN
SM 18:1;O2/18:0
ME432905
-
-
22.178
731.59821
alpha-Hederin
alpha-Hederin
ME432906
-
-
5.988
749.44598
PC(16:0/18:1(9Z))
PC 16:0/18:1(9Z)
ME432907
-
-
23.027
760.58167
[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazani...
-
ME432908
-
-
23.604
762.59827
L-Thyroxine
Thyroxine
ME432909
-
-
9.468
777.69318
Saikosaponin a
Saikosaponin A
ME432910
-
-
15.195
779.46149
(R)-4-((3S,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihy...
-
ME432911
-
-
11.353
785.58826
(R)-4-((1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-dihydr...
-
ME432912
-
-
11.473
785.58862
Flavin??adenine??dinucleotide
FAD
ME432913
-
-
2.922
786.16425
PC 17:0-20:3-d5_ISTD
-
ME432914
-
-
24.089
802.63019
(R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydr...
-
ME432915
-
-
13.29
807.56781
(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-t...
-
ME432916
-
-
11.254
817.58038
(4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydr...
-
ME432917
-
-
9.704
817.58118
Tripalmitin
TG 16:0/16:0/16:0
ME432918
-
-
25.161
824.77081
(4R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,17R)-3,7,12-tr...
-
ME432919
-
-
10.22
839.56122
Cerebroside
-
ME432920
-
-
24.567
850.67462
TAG(50:1)
TG 50:1
ME432921
-
-
25.335
850.7865
C16 Lactosyl Ceramide (d18:1/16:0)
-
ME432922
-
-
21.475
862.62189
Triacylglycerol 16:0-18:1-18:1
TG 16:0_18:1_18:1
ME432923
-
-
25.545
876.8031
Glyceryl trioleate
TG 18:1/18:1/18:1
ME432924
-
-
25.783
923.74512
Saikosaponin C
-
ME432925
-
-
29.026
925.51038
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14...
-
ME432926
-
-
10.474
943.5235
2-((4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-tr...
-
ME432927
-
-
9.098
1031.59033
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