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Return to study ST002003 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Methyl-L-histidine
1-Methylhistidine
ME462117
-
-
8.59
170.0905
1-Methylnicotinamide
1-Methyl nicotinamide
ME462263
-
-
5.92
137.0688
2,6-Diaminopimelic acid
2,6-Diaminopimelic acid
ME462265
-
-
9.53
191.0961
2-Hydroxyibuprofen
2-Hydroxyibuprofen
ME462127
-
-
1.24
205.1217
2-Amino-1-phenylethanol
2-Hydroxyphenethylamine
ME462126
-
-
6.55
120.0795
3-(1-Pyrazolyl)-alanine
3-(1-Pyrazolyl)-alanine
ME462266
-
-
7.31
156.075
3-Aminoquinoline
3-Aminoquinoline
ME462133
-
-
1.48
145.0739
3-Dehydrocarnitine
3-Dehydrocarnitine
ME462135
-
-
2.635
-
(3-Carboxypropyl)trimethylammonium cation
3-Dehydroxycarnitine
ME462113
-
-
7.56
146.1131
3-Hydroxypyridine
3-Hydroxypyridine
ME462138
-
-
2.4
96.0431
Indole-3-propionic acid
3-Indolepropionic acid
ME462283
-
-
1.19
190.0837
3-Methylxanthine
3-Methylxanthine
ME462140
-
-
2.89
167.0545
4-Acetamidobutyric acid
4-Acetamidobutanoic acid
ME462270
-
-
2.22
146.0789
4-Pyridoxic acid;
4-Pyridoxic acid
ME462143
-
-
2.245
-
5'-S-Methyl-5'-thioadenosine
5'-Methylthioadenosine
ME462145
-
-
2.04
298.0946
5'-S-Methylthioadenosine
5'-Methylthioadenosine
ME462146
-
-
2.13
298.0954
6-Hydroxyflavone
6-Hydroxyflavone
ME462272
-
-
1.16
239.0739
6-Methoxynaphthaleneacetic acid
6-Methoxy-2-naphthylaceticacid
ME462147
-
-
1.22
217.0992
7.alpha.-Hydroxy-3-oxo-4-cholestenoic acid
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME462150
-
-
1.21
431.313
7-Methylguanosine
7-Methylguanosine
ME462149
-
-
5.15
166.0704
Acetazolamide
Acetazolamide
ME462151
-
-
1.4
222.9906
Acyclovir
Aciclovir
ME462153
-
-
5.72
226.0926
Adenosine
Adenosine
ME462274
-
-
4.75
268.1024
Guanidine
Agmatine
ME462189
-
-
5.97
60.0551
Ala-Ile
Ala-Ile
ME462275
-
-
7.46
203.1318
Albendazole
Albendazole
ME462276
-
-
1.09
266.0984
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME462097
-
-
5.69
265.1168
Phenylacetyl-L-glutamine
alpha-N-Phenylacetylglutamine
ME462235
-
-
5.69
287.098
Alprazolam
Alprazolam
ME462066
-
-
1.27
309.0894
Arginine
Arginine
ME462067
-
-
9.15
175.1177
Atenolol
Atenolol
ME462158
-
-
5.36
267.1757
Atorvastatin
Atorvastatin
ME462159
-
-
1.33
559.2571
Benzophenone-3
Benzophenone
ME462162
-
-
5.33
229.0834
Betaine
Betaine
ME462163
-
-
6.77
118.085
Betaine aldehyde cation
Betaine
ME462164
-
-
5.07
120.1002
Betonicine
Betonicine
ME462165
-
-
7.39
160.0947
Bradykinin
Bradykinin
ME462167
-
-
8.82
530.786
Heptadecasphing-4-enine
C17 Sphingosine
ME462190
-
-
4.13
286.2729
Caffeine
Caffeine
ME462069
-
-
1.2
195.0869
Decanoyl-L-carnitine
CAR 10:0
ME462175
-
-
2.54
316.2444
Lauroyl-L-carnitine
CAR 12:0
ME462207
-
-
2.48
344.2769
Oleoyl-L-carnitine
CAR 18:1
ME462229
-
-
1.87
426.3553
Linoleoylcarnitine
CAR 18:2
ME462301
-
-
1.55
424.3399
Acetyl-DL-carnitine
CAR 2:0
ME462152
-
-
12.84
204.1205
Propionylcarnitine
CAR 3:0
ME462100
-
-
6.08
218.1373
(R)-Butyrylcarnitine
CAR 4:0
ME462114
-
-
5.42
232.1528
2-Methylbutyryl-L-carnitine
CAR 4:0;2Me
ME462129
-
-
5.01
246.1679
3-Hydroxybutyrylcarnitine
CAR 4:0;3OH
ME462136
-
-
7.27
248.1459
(2R)-3-Hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME462112
-
-
6.91
262.1594
Hexanoyl-L-carnitine
CAR 6:0
ME462191
-
-
4.47
260.1819
Octanoylcarnitine
CAR 8:0
ME462228
-
-
3.815
-
Carbamazepine
Carbamazepine
ME462070
-
-
1.09
237.0848
3-Methylglutarylcarnitine
CAR DC5:0;3Me
ME462139
-
-
5.31
290.1568
Carnitine
Carnitine
ME462071
-
-
7.47
162.1123
L-Carnitine
Carnitine
ME462197
-
-
13.14
162.1105
Choline cation
Choline
ME462168
-
-
4.93
104.1064
Citrulline
Citrulline
ME462072
-
-
8.51
176.1009
L-Citrulline
Citrulline
ME462198
-
-
8.51
159.0746
Coniferylaldehyde
Coniferyl aldehyde
ME462277
-
-
1.02
179.0751
Creatine
Creatine
ME462172
-
-
7.76
132.0758
Creatinine
Creatinine
ME462073
-
-
4.77
114.0637
Cyclo(Leu-Pro)
Cyclo(-Leu-Pro)
ME462278
-
-
1.27
211.1433
L-Cystine
Cystine
ME462200
-
-
9.62
241.0281
Diazepam
Diazepam
ME462074
-
-
1.02
285.0783
Diphenhydramine
Diphenhydramine
ME462178
-
-
1.82
-
Ethylenediaminetetraacetic acid
Edetic acid
ME462182
-
-
9.63
-
.epsilon.-Caprolactam
Epsilon-caprolactam
ME462111
-
-
1.36
114.0901
Ergothioneine
Ergothioneine
ME462075
-
-
7.46
230.0944
Fexofenadine
Fexofenadine
ME462183
-
-
3.19
502.2941
D-Fructose
Fructose
ME462279
-
-
7.51
203.0505
Gabapentin
Gabapentin
ME462184
-
-
5.89
-
H-gamma-glutamyl-glutamine
gamma-Glutamylglutamine
ME462080
-
-
9.29
276.1146
4,5,7-Trihydroxyisoflavone
Genistein
ME462271
-
-
1.15
271.0668
Glutamic acid
Glutamic acid
ME462077
-
-
8.46
148.0582
Glutamine
Glutamine
ME462078
-
-
8.28
147.0751
Glycocholic acid
Glycocholic acid
ME462187
-
-
3.985
-
Glycodeoxycholic acid
Glycodeoxycholic acid
ME462188
-
-
4.286666667
-
Gly-Pro-Arg
Gly-Pro-Arg
ME462186
-
-
9.19
329.1913
Guanine
Guanine
ME462079
-
-
6.17
152.0552
Histidine
Histidine
ME462081
-
-
9.07
156.0751
Homoarginine;
Homoarginine
ME462192
-
-
9.05
189.1314
Hydroxybupropion
Hydroxybupropion
ME462193
-
-
2.98
256.1082
Hypoxanthine
Hypoxanthine
ME462082
-
-
4.88
137.041
Ile-Glu-Arg
Ile-Glu-Arg
ME462194
-
-
8.97
417.2438
DL-Indole-3-lactic acid
Indolelactic acid
ME462179
-
-
6.51
188.0691
2-Indolinone
Indolin-2-one
ME462128
-
-
1.36
134.0585
Irbesartan
Irbesartan
ME462195
-
-
1.235
-
Isoleucine
Isoleucine
ME462083
-
-
6.88
132.0998
Isopropylamine
Isopropylamine
ME462196
-
-
4.93
60.0797
Kynurenine
Kynurenine
ME462085
-
-
6.57
209.0895
Lamotrigine;
Lamotrigine
ME462204
-
-
1.51
256.016
Lansoprazole
Lansoprazole
ME462205
-
-
1.25
370.0753
Losartan
Losartan
ME462086
-
-
1.27
423.1694
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...
LPE 16:0/0:0
ME462120
-
-
5.42
454.2899
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolam...
LPE 18:0/0:0
ME462124
-
-
5.34
482.3208
1-Oleoyl-sn-glycero-3-phosphoethanolamine
LPE 18:1/0:0
ME462119
-
-
5.36
480.3052
Lysine
Lysine
ME462087
-
-
9.24
147.1109
Meloxicam
Meloxicam
ME462211
-
-
1.05
352.0379
Meprobamate
Meprobamate
ME462088
-
-
1.37
219.105
Metformin
Metformin
ME462212
-
-
5.26
130.1071
Methacholine cation
Methacholine
ME462213
-
-
5.74
160.1301
Methionine
Methionine
ME462089
-
-
7.11
150.0563
Methioninesulfoxide
Methionine sulfoxide
ME462284
-
-
8.26
166.0473
Metoprolol
Metoprolol
ME462214
-
-
3
268.189
1-Monostearin
MG 18:0/0:0/0:0
ME462264
-
-
1.02
359.316
Moxonidine
Moxonidine
ME462286
-
-
3.54
242.0975
N.alpha.-Methyl-L-lysine
N(2)-Methyl-lysine
ME462223
-
-
6.97
144.0998
Theanine;
N(5)-Ethyl-glutamine
ME462251
-
-
8.12
175.1047
Isopentenyladenine
N6-Isopentenyladenine
ME462084
-
-
6.88
204.1223
N.epsilon.-Methyl-L-lysine
N(6)-Methyllysine
ME462225
-
-
9
161.1263
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME462226
-
-
8.92
189.1576
N8-Acetylspermidine
N8-Acetylspermidine
ME462289
-
-
8.5
188.1729
N-Acetylalanine
N-Acetylalanine
ME462091
-
-
4.85
132.0707
N-.alpha.-Acetyl-L-arginine
N-Acetylarginine
ME462219
-
-
7.78
217.1258
N-Acetyl-L-carnosine
N-Acetylcarnosine
ME462222
-
-
8.08
269.1206
N-Acetylhistidine
N-Acetylhistidine
ME462287
-
-
7.91
198.0839
Naproxen
Naproxen
ME462093
-
-
1.11
231.0992
N-Methylhistidine
N-Methylhistidine
ME462092
-
-
9.09
170.0908
N-Methylproline
N-Methyl-proline
ME462288
-
-
6.9
130.0843
Norleucine
Norleucine
ME462290
-
-
6.7
132.1002
Omeprazole sulfone
Omeprazole sulfone
ME462230
-
-
1.13
362.1165
Ondansetron
Ondansetron
ME462232
-
-
2.34
294.1505
Ornithine
Ornithine
ME462291
-
-
9.29
133.0946
p-Acetamidophenyl .beta.-D-glucuronide
p-Acetamidophenylglucuronide
ME462233
-
-
10.25
350.0707_372.0527
Palmitamide
Palmitamide
ME462234
-
-
1.44
256.2625
Pantoprazole
Pantoprazole
ME462094
-
-
1.24
-
Pantothenic acid
Pantothenic acid
ME462095
-
-
3.54
220.1158
Dexpanthenol
Pantothenol
ME462176
-
-
1.57
206.1372
Penciclovir
Penciclovir
ME462096
-
-
6.49
254.1252
Phenylalanine
Phenylalanine
ME462098
-
-
6.55
166.0851
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'...
PI 18:0/20:4
ME462122
-
-
5.48
887.5696
Pipecolic acid
Pipecolic acid
ME462292
-
-
7.43
130.0826
Piperine
Piperine
ME462099
-
-
1.02
286.1418
Prazepam
Prazepam
ME462293
-
-
0.96
325.1068
Proline
Proline
ME462294
-
-
7.45
116.0689
Pyrantel
Pyrantel
ME462236
-
-
2.13
207.0944
Pyridoxal
Pyridoxal
ME462237
-
-
1.93
-
Pyridoxine;
Pyridoxine
ME462238
-
-
2.91
170.0778
Quetiapine
Quetiapine
ME462239
-
-
2.2
384.1715
Ranitidine
Ranitidine
ME462243
-
-
4.81
315.1486
Scopoletin
Scopoletin
ME462295
-
-
1.24
193.0373
Serotonin
Serotonin
ME462102
-
-
3.485
-
Ser-Tyr-Lys
Ser-Tyr-Lys
ME462246
-
-
9.18
397.2046
L-Cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME462199
-
-
9.73
298.0493
D-erythro-Sphingosine-1-phosphate
Sphingosine 1-phosphate
ME462173
-
-
5.93
380.2531
Stachydrine
Stachydrine
ME462247
-
-
6.78
144.1012
Sulfamethoxazole
Sulfamethoxazole
ME462248
-
-
1.12
254.0587
SDMA
Symmetric dimethylarginine
ME462101
-
-
8.62
203.1479
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME462250
-
-
5.175
-
Temazepam
Temazepam
ME462104
-
-
1.08
301.0735
Testosterone
Testosterone
ME462105
-
-
1.1
289.234
Theobromine
Theobromine
ME462252
-
-
1.46
181.0718
L-Threonine
Threonine
ME462202
-
-
7.95
120.0635
Thr-Ile-Arg
Thr-Ile-Arg
ME462253
-
-
8.53
389.2504
Ticlopidine
Ticlopidine
ME462296
-
-
1.17
264.0578
Topiramate
Topiramate
ME462297
-
-
1.025
-
trans-3'-Hydroxycotinine
trans-3-Hydroxycotinine
ME462255
-
-
1.81
193.0955
Trazodone
Trazodone
ME462256
-
-
1.92
372.157
2,2',2''-Nitrilotriethanol
Triethanolamine
ME462131
-
-
6.46
150.1085
Trigonelline
Trigonelline
ME462258
-
-
7.15
138.0534
Trimethoprim
Trimethoprim
ME462259
-
-
3.93
291.1448
Trimethylamine-N-oxide
Trimethylamine N-oxide
ME462299
-
-
5.27
76.0748
Tryptophan
Tryptophan
ME462108
-
-
6.51
205.0949
L-Tyrosine
Tyrosine
ME462203
-
-
7.36
165.0525
Tyrosine
Tyrosine
ME462109
-
-
7.37
182.0789
Urea
Urea
ME462260
-
-
2.72
61.0395
Urocanic acid;
Urocanic acid
ME462261
-
-
3.62
139.0484
1,2-Dimethylimidazole
-
ME462125
-
-
4.02
97.0744
1-Acetyl-3-piperidinamine
-
ME462115
-
-
1.52
143.1149
1-Acetyl-4-piperidinamine
-
ME462116
-
-
5.49
143.1124
1-Methyladenosine A
-
ME462065
-
-
7.09
282.1168
1-Oleoyl-2-acetyl-sn-glycerol
-
ME462118
-
-
0.94
381.2975
1-Phenylpyrrolidine
-
ME462121
-
-
3.87
148.1091
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoseri...
-
ME462123
-
-
5.38
812.5414
2,2-Bishydroxymethyl]-2,2',2''-nitrilotriethanol
-
ME462130
-
-
6.59
210.1305
3,4-Dimethoxybenzaldehyde
-
ME462268
-
-
0.98
167.0609
3,5-Dihydroxyphenylglycine
-
ME462269
-
-
7.99
184.0695
3-Amino-1-propanol
-
ME462132
-
-
6.93
58.0643
3-Cysteinylacetaminophen
-
ME462134
-
-
7.33
271.0613
3-Hydroxyoleylcarnitine
-
ME462137
-
-
2.1
424.3401
3-Pyridinemthanol
-
ME462267
-
-
1.35
110.0578
4-Aminomethylcyclohexanecarboxylic acid;
-
ME462141
-
-
1.2
158.1154
4-Fluoro-.alpha.-pyrrolidinobutiophenone
-
ME462142
-
-
2.06
165.0682
4'-Methyl-N-methylhexanophenone
-
ME462144
-
-
6.78
202.1521
7-Hydroxywarfarin
-
ME462148
-
-
1.19
325.1069
Acetominophen
-
ME462273
-
-
1.3
152.0677
Albendazole sulfoxide
-
ME462154
-
-
1.34
282.0761
alpha-Methylhistidine;
-
ME462155
-
-
8.92
170.0916
Aminodiphenylmethane
-
ME462156
-
-
1.2
167.0841
Androstan-3-ol-17-one 3-glucuronide
-
ME462157
-
-
5.69
484.2868
Avobenzone
-
ME462160
-
-
0.98
311.1532
Benthiavalicarb-isopropyl
-
ME462161
-
-
2.76
116.0692
.beta.-Phenyl-.gamma.-aminobutyric acid
-
ME462110
-
-
6.17
180.1001
Biliverden
-
ME462068
-
-
2.34
585.2697
Borrelidin
-
ME462166
-
-
5.52
512.3066
cis-10,11-Dihydroxy-10,11-dihydrocarbamazepine
-
ME462169
-
-
1.45
271.1065
Codeine-6-.beta.-D-glucuronide
-
ME462170
-
-
6.115
476.1906_300.1562
Cotinine N-.beta.-D-glucuronide
-
ME462171
-
-
8.55
353.1359
D-.alpha.-Cyclohexylglycine
-
ME462300
-
-
6.63
158.1109
Dinor-12-oxophytodienoic acid
-
ME462177
-
-
5.83
265.1852
D-Pyroglutamic acid
-
ME462174
-
-
8.28
130.049
D-Turanose
-
ME462280
-
-
8.16
360.1414
Esomeprazole
-
ME462076
-
-
1.39
346.1212
Ethiolat
-
ME462180
-
-
1.44
100.0744
Ethyldiethanolamine
-
ME462181
-
-
5.59
134.1154
Ezetimibe
-
ME462281
-
-
0.97
410.1635
Glaucine
-
ME462185
-
-
2.16
356.1829
H-Pro-Hyp-OH
-
ME462282
-
-
8.29
229.1138
Lauric acid diethanolamide
-
ME462206
-
-
1.61
288.2511
Levocetirizine;
-
ME462208
-
-
1.56
389.1582
L-Leucine, methyl ester
-
ME462201
-
-
6.34
146.1149
Matrine
-
ME462209
-
-
5.51
249.1933
Mefenorex
-
ME462210
-
-
2.12
212.1171
Methylgallate
-
ME462285
-
-
1.41
185.0442
Metoprolol acid
-
ME462215
-
-
5.34
268.1544
Milnacipran
-
ME462216
-
-
2.59
247.179
Modafinil
-
ME462090
-
-
1.31
274.087
Modafinil acid
-
ME462217
-
-
2.4
297.0513
Montelukast-1,2-diol
-
ME462218
-
-
1.16
602.2081
N-(3-(Aminomethyl)benzyl)acetamidine
-
ME462220
-
-
2.67
178.1309
N-Acetyl-D-norleucine
-
ME462221
-
-
4.03
174.1093_132.1005
N.epsilon.-Acetyl-L-lysine
-
ME462224
-
-
7.8
189.119
Nudifloramide
-
ME462227
-
-
2.12
153.0639
Omeprazole sulfone N-oxide
-
ME462231
-
-
1.41
378.1114
Quetiapine sulfoxide
-
ME462240
-
-
3.06
400.1664
rac-4-Sulfoxypropranolol
-
ME462242
-
-
4.42
356.1164
Ranitidine N-oxide
-
ME462244
-
-
5.49
331.1429
Ranitidine-S-oxide
-
ME462245
-
-
6.48
331.1514
R-(-)-O-Desmethylvenlafaxine
-
ME462241
-
-
3.04
264.1913
Tapentadol-.beta.-D-glucuronide
-
ME462249
-
-
7.76
420.1962
Telmisartan
-
ME462103
-
-
1.3
515.2423
threo-Dihydrobupropion
-
ME462254
-
-
1.51
242.124
Toradol
-
ME462298
-
-
1.28
256.0969
Tri-2-ethylhexyl trimellitate
-
ME462257
-
-
0.91
547.3943
Trileptal
-
ME462106
-
-
1.24
253.098
Triptolide
-
ME462107
-
-
1.02
361.1648
Usnic acid
-
ME462262
-
-
6.6
345.085
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