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Return to study ST002776 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
11-Aminoundecanoic acid
11-Aminoundecanoic acid
ME720556
-
-
3.948
202.17987
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME720128
-
-
3.658
118.068205
1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol
1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol
ME720266
-
-
7.523
220.09257
1-Deoxy-D-altro-heptulose7-phosphate
1-Deoxy-D-altro-heptulose 7-phosphate
ME720365
-
-
7.512
275.05218
1-Methyladenine
1-Methyladenine
ME720129
-
-
4.34
150.07731
1-Methyladenosine
1-Methyladenosine
ME720355
-
-
5.394
282.11926
1-Methylguanine
1-Methylguanine
ME720256
-
-
3.355
166.0722
1-Pyrroline-4-hydroxy-2-carboxylate
1-Pyrroline-4-hydroxy-2-carboxylate
ME720165
-
-
7.984
147.07631
2_3_5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME720345
-
-
0.703
182.08102
"2,4,6-triaminotoluene"
2,4,6-Triaminotoluene
ME720298
-
-
5.501
138.10249
2_6-Diaminoheptanedioicacid
2,6-Diaminopimelic acid
ME720166
-
-
4.151
191.10242
2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate
ME720294
-
-
7.928
335.07315
"2-Amino-9,10-epoxy-8-oxodecanoic acid"
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME720191
-
-
5.947
248.14893
2-Aminoacrylate
2-Aminoacrylic acid
ME720663
-
-
6.687
88.03979
Anthranilic acid
2-Aminobenzoic acid
ME720427
-
-
0.856
138.0548
Naphthalen-2-amine
2-Aminonaphthalene
ME720440
-
-
4.561
144.08069
2-Ethyl-5-methylfuran
2-Ethyl-5-methylfuran
ME720369
-
-
0.763
111.08066
Acetonecyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME720546
-
-
0.977
118.08643
2-Methylcholine
2-Methylcholine
ME720136
-
-
3.385
118.12277
2-Methylhippuricacid
2-Methylhippuric acid
ME720613
-
-
0.87
194.08104
2-Methylthiazolidine
2-Methylthiazolidine
ME720340
-
-
5.031
155.575275
2-Phenylethanol
2-Phenylethanol
ME720188
-
-
0.741
123.08051
[FAamino(5:0)]2S-amino-pentanoicacid
2S-Aminopentanoic acid
ME720374
-
-
0.988
118.086425
THTA
2-Tetrahydrothiopheneacetic acid
ME720217
-
-
2.327
164.07379
3-Butyn-1-al
3-Butyn-1-al
ME720297
-
-
4.936
69.03378
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME720428
-
-
2.191
146.11743
3-Guanidinopropanoate
3-Guanidinopropanoic acid
ME720290
-
-
7.496
132.0767
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME720519
-
-
1.782
158.08094
3-Methylhistamine
3-Methylhistamine
ME720257
-
-
4.702
117.58774
3-Methylhistidine
3-Methylhistidine
ME720607
-
-
8.333
170.09221
3-(Pyrazol-1-yl)-L-alanine
3-(Pyrazol-1-yl)-L-alanine
ME720327
-
-
6.312
156.07664
4-Acetamidobenzoic acid
4-Acetamidobenzoic acid
ME720337
-
-
0.695
184.32251
4-Amino-5-hydroxymethyl-2-methylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME720576
-
-
3.306
301.139
4-Aminopyridine
4-Aminopyridine
ME720599
-
-
6.309
95.06056
4-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME720157
-
-
4.091
146.54336
(S)-4-Hydroxymandelonitrile
4-Hydroxymandelonitrile
ME720344
-
-
0.707
182.08102
4-Nitroaniline
4-Nitroaniline
ME720328
-
-
6.314
156.07666
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME720269
-
-
0.81
144.04765
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME720161
-
-
7.215
255.06415
5-Methyldeoxycytidine
5-Methyldeoxycytidine
ME720323
-
-
6.026
242.11326
6-methyltetrahydropterin
6-Methyltetrahydropterin
ME720397
-
-
2.865
182.10355
7-Methylguanine
7-Methylguanine
ME720253
-
-
3.625
166.0722
7-Methylguanosine
7-Methylguanosine
ME720198
-
-
3.605
298.11419
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME720153
-
-
0.935
188.12794
Aceclidine
Aceclidine
ME720152
-
-
0.935
170.11737
Acetohydroxamic acid
Acetohydroxamic acid
ME720484
-
-
6.457
76.03991
Acetylcholine
Acetylcholine
ME720200
-
-
3.225
146.1173933
Adenine
Adenine
ME720454
-
-
2.585
136.06167
Adenosine
Adenosine
ME720496
-
-
2.843
268.10359
Acadesine
AICAR
ME720459
-
-
3.602
259.10341
Ala-Pro(Alanyl-Proline)
Ala-Pro
ME720124
-
-
3.671
280.157555
Alanyltryptophan
Ala-Trp
ME720627
-
-
5.177
276.13389
Allopurinol
Allopurinol
ME720267
-
-
2.974
137.0456833
N-Amidino-L-glutamate
alpha-Guanidinoglutaric acid
ME720150
-
-
7.501
190.08203
anacardic acid
Anacardic acid
ME720404
-
-
0.669
349.27308
DL-Arginine
Arginine
ME720288
-
-
7.751
175.118795
arg-leu
Arg-Leu
ME720265
-
-
6.768
288.20261
Arg-Trp
Arg-Trp
ME720123
-
-
6.447
361.19762
asn-pro
Asn-Pro
ME720286
-
-
7.036
230.11333
asn-val
Asn-Val
ME720419
-
-
4.825
232.12895
Asparagine
Asparagine
ME720177
-
-
6.828
124.54756
Aspartyl-L-proline
Asp-Pro
ME720250
-
-
6.847
231.0973
Benserazide
Benserazide
ME720649
-
-
5.052
258.10817
Benzocaine
Benzocaine
ME720628
-
-
5.657
144.10174
beta-Alanyl-L-arginine
beta-Alanyl-L-arginine
ME720268
-
-
8.03
246.15573
Betaine
Betaine
ME720172
-
-
5.743
118.08634
(3R)-beta-Leucine
beta-Leucine
ME720430
-
-
4.002
132.101862
3-Amino-3-(4-hydroxyphenyl)propanoate
beta-Tyrosine
ME720343
-
-
0.711
182.08105
Bicyclo Prostaglandin E2
Bicyclo-PGE2
ME720580
-
-
0.94
357.20561
Botrydial
Botrydial
ME720381
-
-
0.72
311.18472
Butabarbital
Butabarbital
ME720567
-
-
6.108
213.12315
Butylbutyrate
Butyl butanoate
ME720359
-
-
0.712
145.12215
Capryloylglycine
Capryloylglycine
ME720639
-
-
0.895
202.1436
Palmitoylcarnitine
CAR 16:0
ME720470
-
-
3.244
400.34153
Acetyl-L-carnitine
CAR 2:0
ME720630
-
-
5.88
204.12285
Propionylcarnitine
CAR 3:0
ME720409
-
-
5.334
218.1385
Butyryl-L-carnitine
CAR 4:0
ME720473
-
-
4.75
232.15404
2-methylbutyrylcarnitine
CAR 4:0;2Me
ME720242
-
-
4.201
246.16963
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME720190
-
-
5.949
248.14892
Butenylcarnitine
CAR 4:1
ME720387
-
-
5.217
230.13844
Hexanoylcarnitine
CAR 6:0
ME720591
-
-
3.878
260.1853
Hydroxyhexanoycarnitine
CAR 6:0;OH
ME720389
-
-
5.006
276.180195
2-Hexenoylcarnitine
CAR 6:1
ME720518
-
-
3.752
258.16969
3-hydroxyoctanoylcarnitine
CAR 8:0;3OH
ME720595
-
-
4.271
304.21138
Glutarylcarnitine
CAR DC5:0
ME720287
-
-
6.141
276.14378
O-adipoylcarnitine
CAR DC6:0
ME720502
-
-
0.75
290.15922
carglumic acid
Carglumic acid
ME720641
-
-
7.304
191.066
L(-)-Carnitine
Carnitine
ME720221
-
-
6.436
162.11223
(S)-Carnitine
Carnitine
ME720514
-
-
6.141
203.13888
Carnosine
Carnosine
ME720158
-
-
8.033
227.11354
Cytidine 5'-diphosphocholine
CDP-choline
ME720350
-
-
9.024
489.113995
CDP-ethanolamine
CDP-Ethanolamine
ME720401
-
-
8.264
447.06704
3-Aminopropane-1-sulfonic acid
Cerebril
ME720608
-
-
5.591
140.0375
Choline
Choline
ME720351
-
-
4.473
104.1072833
Cholinesulfate
Choline sulfate
ME720451
-
-
5.221
184.06369
L-(+)-Citrulline
Citrulline
ME720140
-
-
6.836
187.095685
Cytidine 5'-monophosphate (hydrate)
CMP
ME720274
-
-
8.261
324.05863
Tyramineglucuronide
Coenzyme Q10
ME720363
-
-
4.088
314.12195
Coformycin
Coformycin
ME720142
-
-
8.034
285.1189
Cotinine
Cotinine
ME720603
-
-
3.797
177.10207
Creatine
Creatine
ME720212
-
-
6.2
132.0766833
Crotonic acid
Crotonic acid
ME720167
-
-
5.86
104.070905
1-Cyclohexenecarboxylic Acid
Cyclohex-1-enecarboxylic acid
ME720364
-
-
3.581
168.10174
Cyclohex-2-enone
Cyclohex-2-enone
ME720520
-
-
7.149
97.0652
cys-gln
Cys-Gln
ME720668
-
-
6.869
250.08531
L-Cystathionine
Cystathionine
ME720486
-
-
8.353
223.07443
L-Cystine
Cystine
ME720414
-
-
8.555
241.03079
cys-val
Cys-Val
ME720615
-
-
6.103
221.09522
Cytarabine
Cytarabine
ME720296
-
-
4.78
244.0925
Cytosine
Cytosine
ME720289
-
-
3.926
156.3918867
D-Ala-D-Ala
D-Alanyl-D-Alanine
ME720121
-
-
4.043
168.4192467
D-(-)-Aspartic acid
D-Aspartic acid
ME720536
-
-
7.606
134.04471
D-Carnitine
D-Carnitine
ME720495
-
-
5.925
162.112355
Deoxycytidine
Deoxycytidine
ME720326
-
-
3.931
228.097565
delta-Guanidinovalericacid
DGVA
ME720624
-
-
5.334
160.107935
Bis(2-ethylhexyl)adipate
Diethylhexyl adipate
ME720503
-
-
0.646
371.31484
Dihydrothymine
Dihydrothymine
ME720634
-
-
6.452
129.06584
Diisodecyl phthalate
Diisodecyl phthalate
ME720524
-
-
0.644
447.34614
DINP
Diisononyl phthalate
ME720665
-
-
0.651
419.31472
Dinophysistoxin-1
Dinophysistoxin-1
ME720644
-
-
0.953
836.52103
dinotefuran
Dinotefuran
ME720653
-
-
5.935
203.1137
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME720125
-
-
3.717
219.1337033
D-Phenylalanine
D-Phenylalanine
ME720225
-
-
1.351
166.086105
D-Pipecolicacid
D-Pipecolic acid
ME720616
-
-
6.05
130.08624
D-Proline
D-Proline
ME720311
-
-
5.865
116.07079
Ecgonine
Ecgonine
ME720431
-
-
5.253
186.11232
Ectoine
Ectoine
ME720561
-
-
3.792
159.09445
Elaeokanine C
Elaeokanine C
ME720252
-
-
0.81
212.16421
epsilon-(gamma-Glutamyl)-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME720415
-
-
4.147
276.15502
eugenol sulfate
Eugenol sulfate
ME720178
-
-
6.13
245.04812
Phosphonomycin
Fosfomycin
ME720133
-
-
6.95
139.01531
Fructoselysine
Fructosyllysine
ME720562
-
-
8.675
309.16515
Gabapentin
Gabapentin
ME720197
-
-
2.228
172.13302
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME720481
-
-
5.643
217.11804
L-gamma-Glutamyl-L-leucine
gamma-Glutamylleucine
ME720229
-
-
5.322
261.14423
(+/-)-Gingerol
Gingerol
ME720636
-
-
0.728
295.18996
gln-asn
Gln-Asn
ME720206
-
-
6.714
261.11903
L-Glutaminyl-L-proline
Gln-Pro
ME720322
-
-
6.942
244.12889
Glucose 1-phosphate
Glucose 1-phosphate
ME720600
-
-
8.733
261.03668
Glu-Gly
Glu-Gly
ME720534
-
-
7.499
205.08181
L-Glutamic acid
Glutamic acid
ME720164
-
-
6.829
148.060245
DL-Glutamine
Glutamine
ME720513
-
-
6.667
147.07623
L-Glutathione (reduced)
Glutathione
ME720436
-
-
7.49
308.09063
Glycylglutamine
Gly-Gln
ME720482
-
-
6.979
204.09773
Guanidinosuccinic acid
Guanidinosuccinic acid
ME720186
-
-
5.014
176.06566
Guanine
Guanine
ME720137
-
-
4.18
152.056515
Guanosine
Guanosine
ME720643
-
-
4.937
284.0985
Gynocardin
Gynocardin
ME720130
-
-
4.183
304.10262
hercynine
Hercynine
ME720479
-
-
5.633
198.12352
Hexylamine
Hexylamine
ME720356
-
-
3.249
102.128
Histidylglycine
His-Gly
ME720151
-
-
8.252
213.09794
his-met
His-Met
ME720341
-
-
7.207
287.11679
His-Ser
His-Ser
ME720122
-
-
8.128
263.62173
L-Histidine
Histidine
ME720219
-
-
8.218
156.0766
Hypotaurine
Hypotaurine
ME720239
-
-
6.123
110.02729
Hypoxanthine
Hypoxanthine
ME720148
-
-
4.098
137.04564
ile-his
Ile-His
ME720126
-
-
6.439
269.160395
Imetit
Imetit
ME720175
-
-
6.85
171.069825
Imidazole-4-acetaldehyde
Imidazole-4-acetaldehyde
ME720357
-
-
6.313
111.0554
4-Indolecarbaldehyde
Indole-4-carboxaldehyde
ME720539
-
-
4.561
146.05991
2-Oxindole
Indolin-2-one
ME720376
-
-
0.678
134.06
L-Indospicine
Indospicine
ME720651
-
-
4.963
174.12358
Inosine
Inosine
ME720149
-
-
4.096
269.087615
D-myo-Inositol1_2-cyclicphosphate
Inositol cyclic phosphate
ME720492
-
-
7.357
243.02628
?-Lactose
Lactose
ME720491
-
-
6.504
360.149335
Leu-arg
Leu-Arg
ME720565
-
-
6.949
288.20259
Leucylproline
Leu-Pro
ME720332
-
-
5.253
229.1544675
Leucyltryptophan
Leu-Trp
ME720623
-
-
4.013
318.18073
Leucyltyrosine
Leu-Tyr
ME720456
-
-
4.559
295.16486
Leu-Val
Leu-Val
ME720594
-
-
7.045
231.17004
Levamisole
Levamisole
ME720586
-
-
1.245
205.07922
Levetiracetam
Levetiracetam
ME720138
-
-
4.294
256.165215
Linamarin
Linamarin
ME720654
-
-
7.403
248.11263
Metanephrine
L-Metanephrine
ME720224
-
-
3.698
180.10174
Lotaustralin
Lotaustralin
ME720488
-
-
7.084
262.12818
1-Palmitoylglycerophosphocholine
LPC 16:0/0:0
ME720362
-
-
4.062
496.33901
1-heptadecanoyl-sn-glycero-3-phosphocholine
LPC 17:0/0:0
ME720423
-
-
4.046
510.35473
1-Oleoylglycerophosphocholine
LPC 18:1/0:0
ME720273
-
-
3.906
522.354765
1-Linoleoylglycerophosphocholine
LPC 18:2
ME720306
-
-
3.95
520.33913
LysoPC(P-18:0)
LPC P-18:0
ME720464
-
-
4.074
508.37547
1-Palmitoyl-2-hydroxy-sn-glycero-3-PE
LPE 16:0/0:0
ME720525
-
-
3.882
454.29211
lycopsamine
Lycopsamine
ME720671
-
-
4.349
300.1801
L-Lysine
Lysine
ME720171
-
-
7.984
147.11265
lys-leu
Lys-Leu
ME720173
-
-
6.911
260.19656
Lys-phe
Lys-Phe
ME720187
-
-
6.734
294.18084
Maleamate
Maleamate
ME720596
-
-
7.611
116.03439
3-Hydroxy-2-methyl-4-pyrone
Maltol
ME720210
-
-
7.509
127.03902
2-Mercaptoethanol
Mercaptoethanol
ME720474
-
-
1.044
79.02169
met-enkephalin
MET-enkephalin
ME720213
-
-
4.715
574.23265
L-(-)-Methionine
Methionine
ME720377
-
-
5.343
72.04504
L-MethionineS-oxide
Methionine sulfoxide
ME720515
-
-
6.85
166.05311
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME720650
-
-
6.372
141.06572
L-Tyrosine methyl ester
Methyl tyrosinate
ME720202
-
-
2.917
196.09663
Methionylleucine
Met-Leu
ME720418
-
-
4.377
263.14201
Methionylphenylalanine
Met-Phe
ME720585
-
-
4.197
297.1263
Metronidazole
Metronidazole
ME720406
-
-
7.076
172.07147
Methionylserine
Met-Ser
ME720521
-
-
5.985
237.09005
met-val
Met-Val
ME720605
-
-
5.271
249.12647
1-palmitoylglycerol;MAG(16:0)
MG 16:0/0:0/0:0
ME720463
-
-
0.697
331.28369
Monoolein
MG 18:1
ME720425
-
-
0.723
357.29929
Muramic acid
Muramic acid
ME720448
-
-
7.483
220.08131
N1-Acetylspermidine
N1-Acetylspermidine
ME720368
-
-
7.538
188.17557
N5-Ethyl-L-glutamine
N(5)-Ethyl-glutamine
ME720560
-
-
3.796
175.1076
N5-(L-1-Carboxyethyl)-L-ornithine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME720156
-
-
3.922
205.1181167
"N~6~,N~6~-Dimethyllysine"
N(6),N(6)-Dimethyl-lysine
ME720500
-
-
-
-
"N6,N6,N6-Trimethyl-L-lysine"
N-6-Trimethyllysine
ME720566
-
-
8.632
189.15956
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME720131
-
-
8.031
204.08646
N-Acetyl-beta-D-glucosaminylamine
N-Acetyl-beta-glucosaminylamine
ME720181
-
-
4.561
221.11295
N-Acetyl-L-carnosine
N-Acetylcarnosine
ME720652
-
-
7.1
247.13973
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME720399
-
-
4.715
218.1133
N-Acetyl-?-D-glucosamine
N-Acetylglucosamine
ME720670
-
-
5.263
244.07889
N-Acetyl-L-histidine
N-Acetylhistidine
ME720434
-
-
6.313
198.0870733
N-Acetyl-L-methionine
N-Acetylmethionine
ME720457
-
-
2.139
192.06868
N-Acetylornithine
N-Acetylornithine
ME720517
-
-
6.619
175.10757
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME720379
-
-
0.696
208.09655
N-lauroylglycine
NAGly 12:0
ME720370
-
-
0.711
258.206025
N(alpha)-Benzyloxycarbonyl-L-leucine
N-Benzyloxycarbonyl-L-leucine
ME720571
-
-
4.149
266.13828
N-Butyryl-L-homoserinelactone
N-Butyryl-L-homoserine lactone
ME720346
-
-
0.915
172.09651
N-Caffeoylputrescine
N-Caffeoylputrescine
ME720348
-
-
6.925
251.13867
Neopterin
Neopterin
ME720195
-
-
5.086
254.088
"2,3,4,5,6-Pentahydroxy-N-(2-hydroxyethyl)hexanami...
N-Gluconyl ethanolamine
ME720371
-
-
5.048
240.10879
Nicotinamide
Niacinamide
ME720405
-
-
0.958
123.05533
N-Ribosylnicotinamide
Nicotinamide riboside
ME720205
-
-
5.524
255.09717
(S)-Nicotine
Nicotine
ME720383
-
-
4.599
366.26661
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTA...
NNAL-N-oxide
ME720236
-
-
5.645
226.11831
P-DMEA
N,N-Dimethylethanolamine phosphate
ME720447
-
-
5.432
152.04707
N-Undecanoylglycine
N-Undecanoylglycine
ME720270
-
-
0.8
244.19038
Oleoylethanolamide
Oleoyl-EA
ME720523
-
-
0.711
326.30478
Oseltamivir
Oseltamivir
ME720238
-
-
5.423
313.21342
Palmitoyl ethanolamide
Palmitoyl-EA
ME720497
-
-
0.715
291.77598
Pantetheine
Pantetheine
ME720220
-
-
0.949
279.13683
Pantothenicacid(VitaminB5)
Pantothenic acid
ME720461
-
-
2.408
220.1177133
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho...
PC 16:0/18:0
ME720460
-
-
3.66
762.60112
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
PC 16:0/18:1
ME720439
-
-
3.326
760.584295
"PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))"
PC 18:3(9Z,12Z,15Z)/18:2(9Z,12Z)*
ME720535
-
-
3.459
780.55271
PC(o-16:1(9Z)/20:0)
PC o-16:1(9Z)/20:0*
ME720445
-
-
3.612
774.63644
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolami...
PE 18:0/18:1
ME720494
-
-
3.272
746.56877
2-Ethyl-2-phenylmalonamide
Phenylethylmalonamide
ME720353
-
-
0.68
207.11255
Phenylalanylproline
Phe-Pro
ME720279
-
-
4.924
263.13866
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME720455
-
-
7.334
124.99962
Piperidine
Piperidine
ME720232
-
-
3.78
122.62293
Pirbuterol
Pirbuterol
ME720338
-
-
6.025
241.15432
Porphyrin
Porphyrin
ME720375
-
-
6.103
311.12813
Proclavaminicacid
Proclavaminic acid
ME720553
-
-
5.031
203.10243
Promegestone
Promegestone
ME720402
-
-
0.703
327.23128
Pyridoxamine
Pyridoxamine
ME720249
-
-
7.456
169.09578
Pyridoxamine 5-phosphate
Pyridoxamine 5'-phosphate
ME720215
-
-
4.591
249.06068
Pyrrole
Pyrrole
ME720581
-
-
6.558
109.07606
Methylglyoxal
Pyruvaldehyde
ME720234
-
-
5.636
162.07593
D-Raffinose
Raffinose
ME720358
-
-
7.477
522.20209
Nicotianamine
(R,S,S)-Nicotianamine
ME720154
-
-
5.547
304.14987
[FA(18:2)]9Z_11E-octadecadienoicacid
Rumenic acid
ME720245
-
-
0.699
281.247
(S)-2-Acetolactate
(S)-2-Acetolactate
ME720538
-
-
5.09
133.04949
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid
(S)-5-Amino-3-oxohexanoate
ME720192
-
-
1.553
146.081045
Saccharopine
Saccharopine
ME720163
-
-
8.332
277.13906
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME720501
-
-
6.655
385.12824
S-Adenosylmethionine
S-Adenosylmethionine
ME720183
-
-
8.792
399.14401
allylcysteine
S-Allylcysteine
ME720189
-
-
3.813
162.0581367
Salsolinol
Salsolinol
ME720146
-
-
1.687
180.10169
Carbocysteine
S-Carboxymethyl-cysteine
ME720656
-
-
4.394
180.03231
Secogalioside
Secogalioside
ME720139
-
-
4.162
421.13363
ser-arg
Ser-Arg
ME720214
-
-
8.299
262.15063
DL-Serine
Serine
ME720629
-
-
6.645
106.05017
DL-Serine-13C3
Serine
ME720300
-
-
6.656
109.06019
Ser-Ser
Ser-Ser
ME720230
-
-
7.425
193.08178
S-Formylglutathione
S-Formylglutathione
ME720260
-
-
7.351
336.08673
Sildenafil
Sildenafil
ME720533
-
-
7.766
475.20908
(S)-Methylmalonatesemialdehyde
(S)-Methylmalonic acid semialdehyde
ME720468
-
-
7.49
120.0656
beta-Glycerophosphoricacid
sn-Glycero-2-phosphate
ME720259
-
-
7.005
173.02084
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME720597
-
-
7.335
258.10968
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME720638
-
-
6.868
216.06293
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME720450
-
-
5.336
247.05757
Stachydrine
Stachydrine
ME720466
-
-
6.688
155.4527967
streptonigrin
Streptonigrin
ME720424
-
-
4.787
507.15037
Styrene
Styrene
ME720506
-
-
0.756
122.09648
Taurine
Taurine
ME720255
-
-
4.465
126.021985
thr-arg
Thr-Arg
ME720201
-
-
8.091
276.16627
L-Threonine
Threonine
ME720487
-
-
6.463
120.065635
Threonine
Threonine
ME720582
-
-
3.569
120.06564
Threonylglutamine
Thr-Gln
ME720251
-
-
6.857
231.09727
threonylphenylalanine
Thr-Phe
ME720325
-
-
5.293
267.13356
tranexamic acid
Tranexamic acid
ME720584
-
-
5.432
158.11743
[FAoxo(12:0)]12-oxo-10E-dodecenoicacid
Traumatin
ME720489
-
-
3.773
213.1483
Trigonelline
Trigonelline
ME720620
-
-
4.651
138.05481
Troxipide
Troxipide
ME720625
-
-
4.8
295.16486
Trp-Phe
Trp-Phe
ME720532
-
-
3.72
352.16505
DL-Tryptophan
Tryptophan
ME720648
-
-
4.56
205.09694
Tyrosylalanine
Tyr-Ala
ME720314
-
-
3.654
168.5813
L-Tyrosine
Tyrosine
ME720669
-
-
5.528
173.56778
2-(4-Hydroxyphenyl)ethanol(Tyrosol)
Tyrosol
ME720330
-
-
0.758
139.07521
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME720132
-
-
8.029
608.08802
Urocanic acid
Urocanic acid
ME720193
-
-
2.408
139.05008
val-arg
Val-Arg
ME720475
-
-
7.487
274.18688
valganciclovir
Valganciclovir
ME720572
-
-
2.449
355.17187
Val-Leu
Val-Leu
ME720626
-
-
4.787
231.17005
Val-Met
Val-Met
ME720577
-
-
5.077
249.12644
Valylvaline
Val-Val
ME720446
-
-
5.007
217.15448
Xanthine
Xanthine
ME720168
-
-
3.393
153.040545
Xanthosine
Xanthosine
ME720144
-
-
3.841
296.07348
Zalcitabine
Zalcitabine
ME720485
-
-
5.848
212.1026733
Zearalenone
Zearalenone
ME720304
-
-
5.017
319.15358
1_2_4-Trimethylbenzene
-
ME720228
-
-
0.753
121.10127
1_2-beta-D-Glucuronosyl-D-glucuronate
-
ME720305
-
-
2.832
371.0807
"1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMI...
-
ME720564
-
-
2.991
836.52132
"1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOSERINE"
-
ME720498
-
-
3.3
880.51126
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofu...
-
ME720512
-
-
6.722
266.12298
"1,3-Dimethyl-6-morpholino-1,2,3,4-tetrahydropyrim...
-
ME720411
-
-
6.103
226.11833
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxyl...
-
ME720547
-
-
6.087
259.12859
"1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyc...
-
ME720388
-
-
3.871
568.33915
"1-{[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,5,6...
-
ME720589
-
-
0.892
396.27391
1-Amino-1-deoxy-scyllo-inositol4-phosphate
-
ME720382
-
-
7.684
260.05268
"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine"
-
ME720312
-
-
5.544
231.115485
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,...
-
ME720162
-
-
6.793
245.11287
1-Deoxy-L-mannitol
-
ME720408
-
-
3.226
189.07316
1-hexadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-pho...
-
ME720442
-
-
3.546
774.59996
1-myristoyl-sn-glycerol
-
ME720664
-
-
0.694
335.27844
1-Nitrosopiperidine
-
ME720223
-
-
8.021
115.08676
1-Oleoyl-2-Stearoyl-sn-Glycero-3-Phosphocholine
-
ME720449
-
-
3.574
788.61551
"(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobu...
-
ME720472
-
-
0.714
258.20599
(1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
-
ME720263
-
-
0.68
159.06501
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol
-
ME720490
-
-
4.427
583.32331
2-(1-benzofuran-2-yl)-4H-chromen-4-one
-
ME720426
-
-
6.051
263.07342
"2-({2-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-2-oxo...
-
ME720499
-
-
5.131
244.07884
2_2'-Iminodipropanoate
-
ME720233
-
-
5.637
162.075955
2-(3-Carboxy-3-aminopropyl)-L-histidine
-
ME720143
-
-
7.926
257.12405
2'_3'-CyclicGMP
-
ME720568
-
-
6.652
346.05633
"2,3-Dimethylquinoxaline"
-
ME720504
-
-
4.558
159.09154
"2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-(1...
-
ME720598
-
-
2.175
316.21141
"2',4',11-trioxaspiro[tricyclo[4.4.1.0Âa,â¶]u...
-
ME720203
-
-
6.064
337.57159
246I1D7TDL
-
ME720413
-
-
0.789
240.19553
"2,4-dihydroxyheptadec-16-ynyl acetate"
-
ME720347
-
-
0.695
327.25248
2-[(5-chloro-3-pyridyl)oxy]-5-(1H-pyrrol-1-yl)pyri...
-
ME720331
-
-
6.055
272.06135
"2,5-Dimethyl-4-ethoxy-3(2H)-furanone"
-
ME720317
-
-
0.795
157.08572
2_5-Dioxopiperazine
-
ME720342
-
-
3.66
115.05037
2-[(5Z)-5-tetradecenyl]cyclobutanone
-
ME720441
-
-
0.684
265.25218
"2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosph...
-
ME720384
-
-
3.719
526.29227
"2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)anil...
-
ME720662
-
-
6.893
283.13967
"2,6-Diamino-7-hydroxynonanedioic acid"
-
ME720544
-
-
6.824
276.15502
"2,6-Dideoxy-3-O-methyl-L-arabino-hexopyranose"
-
ME720184
-
-
6.998
388.19354
"2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridi...
-
ME720604
-
-
8.3
241.12917
2-amino-3-({[1-(dimethylamino)-1H-pyrrol-2-yl]meth...
-
ME720275
-
-
0.695
150.054795
2-Amino-4-methylpyrimidine
-
ME720292
-
-
6.312
105.8148825
2-Aminoacetophenone;O-Acetylaniline
-
ME720602
-
-
3.801
177.10215
"2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine"
-
ME720632
-
-
6.558
168.11294
2-Docosahexaenoyl glycerol
-
ME720285
-
-
0.684
420.31012
"(2E)-5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-3,4,4a,5...
-
ME720505
-
-
0.938
341.21068
"2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol"
-
ME720366
-
-
4.83
178.107245
2-Hydroxy-N-(2-hydroxyethyl)propionamide
-
ME720127
-
-
3.662
134.081135
"2-mercapto-4,6-dimethylnicotinonitrile"
-
ME720612
-
-
0.778
165.0479
"2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-on...
-
ME720324
-
-
3.654
171.4265867
"2-methyl-3-(2-thienyl)-3,3a,4,5-tetrahydro-2H-ben...
-
ME720655
-
-
6.056
269.11287
2-Methyl-6-oxohepta-2_4-dienal
-
ME720240
-
-
0.754
141.09081
2-(Methylthio)ethanol
-
ME720452
-
-
0.965
93.0373
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate
-
ME720398
-
-
0.75
183.10144
"(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-...
-
ME720574
-
-
0.963
790.53719
(2R_3S)-2_3-Dimethylmalate
-
ME720516
-
-
6.503
325.11237
(2R_4S)-2_4-Diaminopentanoate
-
ME720396
-
-
6.843
133.09713
"(2R,6S)-2,6-Diamino-3-hydroxyheptanedioic acid"
-
ME720315
-
-
5.031
207.09734
(2S)-2-Amino-8-hydroxyoctanoic acid
-
ME720437
-
-
3.876
176.12797
(2S)-3-Hydroxy-2-(octanoyloxy)propyl decanoate
-
ME720400
-
-
0.705
355.28363
3-(3_4-Dihydroxypyridin-1-yl)-L-alanine
-
ME720645
-
-
4.706
218.11322
"3,4-Methylenesebacic acid"
-
ME720410
-
-
0.767
227.12739
"3,5-Dimethyl-1-phenylpyrazole"
-
ME720549
-
-
0.845
173.10718
"3-[6-(tert-butyl)-1,1-dimethyl-2,3-dihydro-1H-ind...
-
ME720453
-
-
5.007
257.07402
"3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-...
-
ME720522
-
-
7.027
293.17028
3-Amino-2-naphthoic acid
-
ME720640
-
-
0.87
188.07379
3-Amino-2-piperidinone
-
ME720318
-
-
6.833
115.08676
"3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione"
-
ME720552
-
-
6.745
155.08134
3-BHA
-
ME720661
-
-
0.861
198.14863
"3-Hydroxy-2,4,5-pyridinetrimethanol"
-
ME720180
-
-
5.23
186.07592
3-hydroxy-2-methyl-1H-quinolin-4-one
-
ME720530
-
-
0.718
208.09655
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylam...
-
ME720622
-
-
5.796
262.16456
"3-Hydroxy-5, 8-tetradecadiencarnitine"
-
ME720320
-
-
3.719
384.27394
3-Hydroxycyclohexanone
-
ME720196
-
-
0.769
115.0755
3-Mercapto-2-butanol
-
ME720333
-
-
0.916
107.0528
3-Mercapto-3-methylbutan-1-ol
-
ME720412
-
-
0.835
121.06826
3-Methylsulfolene
-
ME720303
-
-
5.335
133.03178
"(3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-Pentahyd...
-
ME720462
-
-
0.777
387.30968
"4,8-dihydroxy-6,6,8-trimethyl-1H,3H,4H,4aH,5H,6H,...
-
ME720593
-
-
6.412
289.13891
4-Acetamido-2-amino-6-nitrotoluene
-
ME720557
-
-
0.769
210.08699
"(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)met...
-
ME720403
-
-
0.799
198.09746
"(4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-(prop-1-en-...
-
ME720559
-
-
6.357
215.13892
4-Butyloxazole
-
ME720493
-
-
7.812
126.0914
"4-Cyano-N-[(1R,9S)-11-(2-naphthoyl)-6-oxo-7,11-di...
-
ME720590
-
-
7.477
527.15757
"4-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine"
-
ME720135
-
-
3.66
146.57944
4-Dimethylaminoantipyrine
-
ME720248
-
-
8.29
232.14009
4-Fluoro-?-pyrrolidinobutiophenone
-
ME720558
-
-
6.238
236.14894
"4-(Methylthio)-6-(4-pyridyl)-1,3,5-triazin-2-amin...
-
ME720277
-
-
6.339
220.06896
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol
-
ME720619
-
-
4.636
196.10794
4-Oxocyclohexanecarboxylate
-
ME720647
-
-
0.743
143.07019
"4-phenyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazi...
-
ME720169
-
-
5.036
216.05412
4-phenylsemicarbazide
-
ME720646
-
-
6.313
152.0817
(4S)-4-{[(9Z)-3-Hydroxy-9-hexadecenoyl]oxy}-4-(tri...
-
ME720465
-
-
3.68
414.32096
4-Undecylbenzenesulfonic acid
-
ME720531
-
-
5.198
313.18312
"5-[(4-methoxybenzyl)amino]-2,3-dihydro-1,3,4-thia...
-
ME720421
-
-
8.529
276.0227
"5,7-dihydroxy-2-phenyl-4H-chromen-4-one"
-
ME720185
-
-
5.426
255.06254
"5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-ox...
-
ME720281
-
-
0.78
221.07402
5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLE...
-
ME720478
-
-
7.982
664.11553
5-Methoxybenzimidazole
-
ME720587
-
-
0.903
149.07082
5-Nitro-o-toluidine
-
ME720617
-
-
6.557
153.06563
5-Phosphonooxy-L-lysine
-
ME720291
-
-
8.116
243.07373
6-Acetamido-3-aminohexanoate
-
ME720352
-
-
6.14
189.12315
6-Amino-9H-purine-9-propanoic acid
-
ME720372
-
-
5.044
240.10884
6-Methylindole
-
ME720618
-
-
4.559
132.08073
"6-(tert-butyl)thieno[3,2-d]pyrimidin-4(3H)-one"
-
ME720227
-
-
5.86
209.07253
"7-methyl-3-nitroimidazo[1,2-a]pyridine"
-
ME720293
-
-
8.39
178.05851
8-DEMETHYL MEIQX
-
ME720309
-
-
6.311
200.09373
8'-Hydroxyabscisate
-
ME720316
-
-
0.71
281.13793
Acetyl-?-methylcholine
-
ME720336
-
-
5.867
160.13306
afegostat
-
ME720354
-
-
5.849
148.09664
AJ6475000
-
ME720264
-
-
4.492
168.03237
alpha-methylstyrene
-
ME720637
-
-
2.315
119.08566
apronalide
-
ME720349
-
-
3.895
185.1283
Asparaginyl-4-hydroxyproline
-
ME720551
-
-
7.463
263.13461
Bemegride
-
ME720272
-
-
0.935
156.10178
Bethanidine
-
ME720218
-
-
2.404
178.13372
Bis(4-ethylbenzylidene)sorbitol
-
ME720432
-
-
0.709
306.163975
Bluensidine
-
ME720235
-
-
5.802
265.1131
BX9286000
-
ME720444
-
-
6.673
310.1756
Carnosine(beta-alanyl-L-histidine)
-
ME720262
-
-
5.988
227.11358
Catechol;1_2-Dihydroxybenzene
-
ME720658
-
-
0.893
152.07044
chavicol
-
ME720244
-
-
0.711
135.080325
CU5774000
-
ME720390
-
-
0.72
153.090845
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine
-
ME720313
-
-
7.516
244.0924
D-2-Amino-hexano-6-lactam
-
ME720392
-
-
6.753
161.12832
DD9275000
-
ME720278
-
-
0.634
133.0759767
Dexamisole
-
ME720483
-
-
0.705
205.07917
di(3-pyridyl) 5-(tert-butyl)isophthalate
-
ME720579
-
-
3.813
377.14506
diflumidone
-
ME720216
-
-
6.057
312.04983
Dimefox
-
ME720391
-
-
5.338
155.07498
Dimethylaminopropionylphenothiazine
-
ME720588
-
-
0.708
299.12081
DL-Arginine-6C13
-
ME720254
-
-
7.752
181.13879
DL-Dipalmitoylphosphatidylcholine
-
ME720438
-
-
3.387
734.568585
DL-Phenylalanine-6C13
-
ME720380
-
-
0.934
172.10622
DOG
-
ME720394
-
-
0.726
345.26315
D-O-Phosphoserine
-
ME720145
-
-
8.118
186.01604
D-(+)-Pyroglutamic Acid
-
ME720226
-
-
7.498
147.07626
(E)-4-hydroxyphenylacetaldehydeoxime
-
ME720601
-
-
0.924
152.07035
EDDA
-
ME720480
-
-
7.559
177.08684
Eglumetad
-
ME720155
-
-
8.036
186.07591
EGTA
-
ME720635
-
-
4.71
381.15177
Epinephrine(OrL-Adrenaline)
-
ME720182
-
-
0.678
172.0896033
EQH
-
ME720222
-
-
6.678
413.17725
Ergothioneine;Thiolhistidine-betaine
-
ME720295
-
-
5.983
230.09554
"ethyl 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]...
-
ME720511
-
-
4.831
267.058385
ethyl 4-amino-2-[(3-nitro-2-pyridyl)thio]pyrimidin...
-
ME720174
-
-
4.999
322.05438
Eugenol;4-Allylguaiacol
-
ME720373
-
-
0.881
165.09085
[FA(20:4)]17R_18S-epoxy-5Z_8Z_11Z_14Z-eicosatetrae...
-
ME720385
-
-
0.703
301.21571
[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicaci...
-
ME720160
-
-
5.855
198.03712
Furfural;Furan-2-carbaldehyde
-
ME720329
-
-
7.476
97.02881
Gabexate
-
ME720159
-
-
5.062
385.18242
glycidyl oleate
-
ME720666
-
-
0.662
339.28859
Gly-Pro(Glycylproline)
-
ME720299
-
-
4.825
190.11844
Guanylurea
-
ME720510
-
-
4.02
103.06174
H-DL-MET-DL-MET-OH
-
ME720631
-
-
4.891
281.09841
Hexatriyne
-
ME720416
-
-
0.679
92.04968
HO-dPEG8-OH
-
ME720541
-
-
0.991
388.25348
Hydrocotarnine
-
ME720578
-
-
0.685
222.11216
β-D-Ribofuranosylcreatine
-
ME720609
-
-
6.669
264.11865
Imagabalin
-
ME720261
-
-
2.05
174.148725
Iminoerythrose4-phosphate
-
ME720367
-
-
8.113
200.03164
Indane
-
ME720334
-
-
0.709
119.08549
Isoleucine - 6C13
-
ME720407
-
-
5.182
138.12186
Isoxanthopterin;2-Aminopteridine-4_7-diol
-
ME720563
-
-
4.229
180.05138
Istamycin C1
-
ME720611
-
-
1.003
432.27971
J42942UVUN
-
ME720509
-
-
7.442
180.07659
KJ9800000
-
ME720422
-
-
0.663
399.2497
?-Lapachone
-
ME720471
-
-
5.427
243.09904
L-Carnitinamide
-
ME720393
-
-
6.744
161.12829
L-Hypoglycin
-
ME720667
-
-
0.942
142.08616
L(-)-Pipecolinic acid
-
ME720141
-
-
8.059
130.08623
L-serine phosphoethanolamine
-
ME720147
-
-
8.118
229.05813
"LYSINOALANINE, (S,R)-"
-
ME720209
-
-
8.456
234.14458
"lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,...
-
ME720319
-
-
3.442
526.29215
Maraniol
-
ME720283
-
-
0.677
222.11217
Mebendazole
-
ME720592
-
-
0.697
296.10409
mebutamate
-
ME720204
-
-
3.665
233.14931
Medroxalol
-
ME720208
-
-
0.694
373.17518
Methyl-3-aminobenzoate
-
ME720271
-
-
0.686
115.54434
metominostrobin
-
ME720433
-
-
0.693
285.12288
MFCD00020424
-
ME720657
-
-
3.716
313.15414
MFCD00025555
-
ME720529
-
-
5.839
203.13888
MFCD00042898
-
ME720642
-
-
11.507
873.69287
MFCD00153469
-
ME720575
-
-
0.826
230.1748
Monostearin
-
ME720476
-
-
0.695
359.31491
Myristamide
-
ME720545
-
-
1.374
228.23195
"N1-(3-Pyridylmethyl)-3-(3,4-dichlorophenyl)acryla...
-
ME720301
-
-
5.328
307.04348
N-[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl...
-
ME720633
-
-
3.753
276.1261
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-ylid...
-
ME720507
-
-
6.687
293.08379
"N-{[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-y...
-
ME720284
-
-
5.93
245.16059
N-[(2S)-2-Hydroxypropanoyl]methionine
-
ME720469
-
-
4.795
222.0792
"N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-beta-D-thre...
-
ME720537
-
-
5.435
836.59463
"N-{4-[(2R,3R)-3-(Hydroxymethyl)-4-methyl-5-oxo-2-...
-
ME720360
-
-
6.899
377.14514
N^5^-formyl-N^5^-hydroxy-L-ornithine
-
ME720302
-
-
6.853
177.08683
"N(6),N(6)-Dimethyladenine"
-
ME720170
-
-
3.964
164.09296
N-Adenylylanthranilate
-
ME720310
-
-
4.676
467.10891
Nicotinamide 1-oxide
-
ME720282
-
-
2.992
139.05238
Nitrosoguvacoline
-
ME720321
-
-
6.126
171.07626
NLK
-
ME720246
-
-
6.474
189.12316
"N,N-Dimethyl-N-phenylurea"
-
ME720659
-
-
3.78
165.10213
NP-003469
-
ME720573
-
-
7.513
297.03416
NP-005146
-
ME720211
-
-
2.738
257.11279
NP-012972
-
ME720621
-
-
6.716
263.15981
NP-015114
-
ME720569
-
-
6.535
262.12811
NP-015145
-
ME720435
-
-
6.054
250.07953
NPYR
-
ME720241
-
-
6.67
101.0713
N-Tridecanoylglycine
-
ME720361
-
-
0.779
272.22157
Ovothiol A
-
ME720614
-
-
7.477
202.06424
Oxibendazole
-
ME720280
-
-
0.658
250.11794
PC
-
ME720477
-
-
3.477
786.60013
PEG-4
-
ME720207
-
-
0.966
195.12249
PEG n10
-
ME720528
-
-
1.018
476.30584
PEG n11
-
ME720554
-
-
1.036
520.33201
PEG n6
-
ME720307
-
-
0.976
300.20123
PEG n7
-
ME720550
-
-
0.984
344.2274
Pentyl isothiocyanate
-
ME720543
-
-
6.814
276.15501
Phenazone
-
ME720458
-
-
0.752
189.10204
Platelet-activating factor
-
ME720417
-
-
4.03
524.37034
PLK
-
ME720243
-
-
8.576
179.12827
prinoxodan
-
ME720548
-
-
3.413
259.11861
Pro-Hyp
-
ME720258
-
-
6.022
229.11799
Pyrovalerone
-
ME720660
-
-
8.256
246.1809
quizalofop
-
ME720339
-
-
5.855
367.04586
Quwenzhi
-
ME720555
-
-
0.855
216.15911
(R)-3-Amino-2-methylpropanoate
-
ME720231
-
-
3.552
104.0709367
RI2735000
-
ME720335
-
-
0.763
155.10644
(S)-4-Amino-5-oxopentanoate
-
ME720420
-
-
6.453
132.0655
(-)-Salsoline
-
ME720606
-
-
3.752
194.11742
Secnidazole
-
ME720570
-
-
7.008
186.08715
Selsun
-
ME720308
-
-
5.331
112.89594
[Similar to: 2-[3-chloro-2-hydroxy-4-methoxy-6-(me...
-
ME720386
-
-
0.713
410.34702
"[Similar to: 2-[(4-chlorophenyl)sulfonyl]-N,N-dim...
-
ME720199
-
-
1.378
300.20126
"[Similar to: 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)...
-
ME720526
-
-
4.64
243.18256
[Similar to: 3-Methylhistamine; ?Mass: 46.0035 Da]
-
ME720276
-
-
4.703
172.1061
[Similar to: (4-benzoylpiperidino)[4-(tert-butyl)p...
-
ME720540
-
-
0.991
388.2535
[Similar to: ARH; ?Mass: -137.0850 Da]
-
ME720527
-
-
7.989
491.25275
[Similar to: ARH; ?Mass: -178.0605 Da]
-
ME720610
-
-
7.649
205.15447
[Similar to: N1-pyrazin-2-yl-4-chlorobenzamide; ?M...
-
ME720508
-
-
0.971
239.14856
[Similar to: N-Acetylneuraminic acid; ?Mass: -22.1...
-
ME720179
-
-
7.611
287.94092
spinacine
-
ME720467
-
-
7.516
335.14557
sulnidazole
-
ME720429
-
-
7.446
259.08571
TBTC
-
ME720583
-
-
6.018
327.08986
Teneligliptin
-
ME720176
-
-
5.144
427.22938
Tetramethylene sulfoxide
-
ME720395
-
-
0.857
105.03716
Tolycaine
-
ME720194
-
-
4.088
279.16988
trans-3-Indoleacrylic acid
-
ME720237
-
-
4.7
180.74072
"Uracil - C13,N15"
-
ME720247
-
-
1.47
116.03214
US4550000
-
ME720443
-
-
6.313
159.41683
Valyl-4-hydroxyproline
-
ME720134
-
-
3.781
231.13382
Xanthoxin;Methoxsalen
-
ME720542
-
-
0.762
251.16377
(Z)-thiofanox
-
ME720378
-
-
6.875
219.11667
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
12-Hydroxydodecanoicacid
12-Hydroxy lauric acid
ME720700
-
-
0.832
215.1651
1D-chiro-inositol
1D-chiro-Inositol
ME720684
-
-
6.175
239.07719
1-Deoxy-D-altro-heptulose7-phosphate
1-Deoxy-D-altro-heptulose 7-phosphate
ME720765
-
-
7.018
273.03835
1-Methyladenine
1-Methyladenine
ME720724
-
-
4.621
148.06208
1-Methylhistidine
1-Methylhistidine
ME720887
-
-
6.231
168.077165
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyran...
2,4-Diacetamido-2,4,6-trideoxy-alpha-mannose
ME720963
-
-
7.131
245.11428
2_6-Diaminoheptanedioicacid
2,6-Diaminopimelic acid
ME720856
-
-
6.727
189.08756
2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate
ME720871
-
-
7.397
333.05968
2-Aminomuconate
2-Aminomuconic acid
ME720854
-
-
5.045
313.06777
2-methoxyacetaminophen sulfate
2-Methoxyacetaminophen sulfate
ME720766
-
-
0.564
260.02366
2-Methylhippuricacid
2-Methylhippuric acid
ME720833
-
-
0.706
192.06613
Oxaloglutarate
2-Oxaloglutaric acid
ME720853
-
-
4.95
203.0194
2-Oxooctadecanoicacid
2-Oxo-octadecanoic acid
ME720950
-
-
0.717
279.23327
3'-CMP
3'-CMP
ME720707
-
-
7.72
322.04488
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME720938
-
-
5.069
156.06584
3-Pyridylacetic acid
3-Pyridylacetic acid
ME720791
-
-
1.868
136.03935
4-Acetamidobenzoic acid
4-Acetamidobenzoic acid
ME720757
-
-
2.58
178.05032
4-Amino-2-methyl-5-phosphomethylpyrimidine
4-Amino-2-methyl-5-phosphomethylpyrimidine
ME720769
-
-
6.506
218.03295
[FAhydroxy_oxo(7:0/2:0)]4-hydroxy-2-oxo-Heptanedio...
4-Hydroxy-2-oxo-heptanedioic acid
ME720701
-
-
5.108
189.03993
4-Nitroacetophenone
4-Nitroacetophenone
ME720776
-
-
3.114
164.03457
4-Oxoproline
4-Oxo-proline
ME720705
-
-
5.538
134.03784
Dihydrouridine
5,6-Dihydrouridine
ME720967
-
-
6.443
245.07801
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME720785
-
-
6.886
253.05013
5-methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME720736
-
-
6.713
146.06422
6-Hydroxymelatonin
6-Hydroxymelatonin
ME720984
-
-
4.598
247.11227
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME720704
-
-
5.031
300.10669
9_12-Dioxododecanoicacid
9,12-Dioxo-dodecanoic acid
ME720799
-
-
0.817
227.12878
"9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic a...
9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid
ME720912
-
-
0.848
237.11322
Abieticacid
Abietic acid
ME720937
-
-
0.712
301.2176
Adenine
Adenine
ME720786
-
-
2.325
134.04616
Adenosine
Adenosine
ME720803
-
-
2.65
266.08978
ala-met
Ala-Met
ME720968
-
-
5.155
219.08053
Allopurinol
Allopurinol
ME720737
-
-
2.849
135.03012
AminoDHQ
AminoDHQ
ME720678
-
-
4.168
188.05589
Aniracetam
Aniracetam
ME720928
-
-
0.723
218.082
Anserine
Anserine
ME720806
-
-
8.516
239.11496
D-Arabinonate
Arabinonic acid
ME720795
-
-
5.525
279.03301
D-Arabitol
Arabitol
ME720890
-
-
4.884
151.06034
Arachidonic acid
Arachidonic acid
ME720973
-
-
0.707
303.23327
L-(-)-Asparagine
Asparagine
ME720832
-
-
7.237
131.04523
L-Aspartic acid
Aspartic acid
ME720710
-
-
8.073
132.02916
Aspartyl-Phenylalanine
Asp-Phe
ME720992
-
-
6.456
279.09893
Benzoic acid
Benzoic acid
ME720708
-
-
0.719
128.233068
Benzyl2-methyl-3-oxobutanoate
Benzyl 2-methyl-3-oxobutanoate
ME720961
-
-
0.769
205.08672
3-Amino-3-(4-hydroxyphenyl)propanoate
beta-Tyrosine
ME720807
-
-
0.727
180.066
(+)-Bornane-2_5-dione
Bornane-2,5-dione
ME720913
-
-
0.735
165.09138
(-)-Borneol
Borneol
ME720879
-
-
0.703
307.26457
Butylparaben
Butylparaben
ME720881
-
-
0.842
193.08661
carglumic acid
Carglumic acid
ME720787
-
-
7.853
189.05119
Cholinephosphate
Choline phosphate
ME720691
-
-
6.684
182.05819
Cholinesulfate
Choline sulfate
ME720719
-
-
4.943
182.04867
cis-Aconiticacid
cis-Aconitic acid
ME720716
-
-
5.55
173.008495
[FA(20:0)]11Z-eicosenoicacid
cis-Gondoic acid
ME720793
-
-
0.703
309.28012
Coniferylalcohol
Coniferyl alcohol
ME720900
-
-
0.778
179.0708
Creatine
Creatine
ME720744
-
-
6.107
130.0611
L-Cystine
Cystine
ME720877
-
-
8.874
239.01659
D-Ala-D-Ala
D-Alanyl-D-Alanine
ME720935
-
-
6.698
159.0767
D-Arginine
D-Arginine
ME720756
-
-
8.412
173.10372
Deoxycytidine
Deoxycytidine
ME720739
-
-
5.731
226.08319
D-(-)-Glutamine
D-Glutamine
ME720733
-
-
6.674
145.06088
8_11_14-Eicosatrienoicacid
Dihomo-gamma-linolenic acid
ME720958
-
-
0.707
305.24895
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME720893
-
-
3.814
229.1115633
(R)-Malate
D-Malic acid
ME720718
-
-
4.016
133.0145
Docosahexaenoic Acid
Docosahexaenoic acid
ME720974
-
-
0.71
327.23332
Dopamine3-O-sulfate
Dopamine 3-O-sulfate
ME720750
-
-
1.879
232.02819
D-(+)-Tryptophan
D-Tryptophan
ME720792
-
-
4.504
203.08218
Erythritol
Erythritol
ME720694
-
-
3.364
121.04956
D-(-)-Fructose
Fructose
ME720949
-
-
5.162
179.0555033
?-Aminobutyric acid (GABA)
gamma-Aminobutyric acid
ME720682
-
-
6.503
102.054835
gamma-Glu-gln
gamma-Glutamylglutamine
ME720779
-
-
5.49
274.10492
L-gamma-Glutamyl-L-leucine
gamma-Glutamylleucine
ME720875
-
-
4.034
259.130125
gamma-L-Glutamylputrescine
gamma-Glutamylputrescine
ME720932
-
-
8.589
216.1351
glu-asp
Glu-Asp
ME720957
-
-
6.722
261.0731
Sedoheptulose
Glucoheptulose
ME720773
-
-
6.506
269.08806
Glucose 1-phosphate
Glucose 1-phosphate
ME720696
-
-
8.447
259.02267
Glu-Gly
Glu-Gly
ME720874
-
-
7.508
203.06693
Glu-Met
Glu-Met
ME720978
-
-
6.913
277.08663
glu-ser
Glu-Ser
ME720897
-
-
7.761
233.07783
L-Glutamic acid
Glutamic acid
ME720727
-
-
7.116
146.04485
glu-thr
Glu-Thr
ME720892
-
-
7.353
247.093605
Glycylglutamine
Gly-Gln
ME720904
-
-
7.169
202.08294
Gly-His
Gly-His
ME720797
-
-
8.335
211.08339
Gly-Ser
Gly-Ser
ME720858
-
-
7.223
161.05597
Guanine
Guanine
ME720742
-
-
4.022
150.04122
Guanosine
Guanosine
ME720763
-
-
4.789
282.08463
Guvacine
Guvacine
ME720681
-
-
0.923
186.07666
Hexanoylglycine
Hexanoylglycine
ME720843
-
-
2.562
172.09727
his-asp
His-Asp
ME720772
-
-
6.505
269.08812
his-gln
His-Gln
ME720746
-
-
6.504
282.11973
L-Histidine
Histidine
ME720851
-
-
6.101
154.06134
L-Homocysteicacid
Homocysteic acid
ME720794
-
-
6.773
182.0123
Inosinic acid
IMP
ME720850
-
-
7.224
347.04022
Inosine
Inosine
ME720764
-
-
4.055
267.07365
1D-myo-Inositol3-phosphate
Inositol 3-phosphate
ME720751
-
-
7.663
259.02269
D-myo-Inositol1_2-cyclicphosphate
Inositol cyclic phosphate
ME720767
-
-
6.908
241.01187
Isodomedin
Isodomedin
ME720931
-
-
0.831
391.21331
Itaconic acid
Itaconic acid
ME720672
-
-
4.021
129.01833
Leucylasparagine
Leu-Asn
ME720954
-
-
5.967
244.1303533
leu-asp
Leu-Asp
ME720988
-
-
6.776
245.114305
DL-?-Leucine
Leucine
ME720809
-
-
4.912
130.0863
leu-gln
Leu-Gln
ME720946
-
-
5.974
258.14619
leu-phe
Leu-Phe
ME720918
-
-
3.917
277.15597
Leu-Val
Leu-Val
ME720981
-
-
4.436
229.15565
Margaric acid
Margaric acid
ME720993
-
-
0.716
269.24895
Mesaconic acid
Mesaconic acid
ME720676
-
-
1.485
129.01832
Methylsuccinic acid
Methylsuccinic acid
ME720674
-
-
1.633
131.03394
Methionylserine
Met-Ser
ME720975
-
-
5.748
235.07576
met-thr
Met-Thr
ME720969
-
-
5.221
249.09153
met-tyr
Met-Tyr
ME720997
-
-
4.432
311.10753
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME720885
-
-
7.261
246.06199
N5-Ethyl-L-glutamine
N(5)-Ethyl-glutamine
ME720768
-
-
5.94
173.09249
N5-(L-1-Carboxyethyl)-L-ornithine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME720800
-
-
6.245
222.08146
N(6)-[(Indol-3-yl)acetyl]-L-lysine
N(6)-[(Indol-3-yl)acetyl]-lysine
ME720989
-
-
4.235
302.15139
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME720849
-
-
6.449
202.07175
N-Acetyl-1-aspartylglutamic acid
N-Acetyl-Asp-Glu
ME720770
-
-
7.365
303.08373
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME720921
-
-
6.935
216.09872
N-Acetylcystathionine
N-Acetylcystathionine
ME720986
-
-
6.962
263.07101
N-Acetyl-L-histidine
N-Acetylhistidine
ME720752
-
-
6.101
196.07224
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME720814
-
-
0.698
206.08181
Neopterin
Neopterin
ME720812
-
-
5.098
252.07399
N-Formyl-L-aspartate
N-Formyl-aspartic acid
ME720828
-
-
6.72
160.02437
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTA...
NNAL-N-oxide
ME720725
-
-
5.739
338.09744
N-Undecanoylglycine
N-Undecanoylglycine
ME720753
-
-
0.87
242.17615
Oleic acid-d17
Oleic acid
ME720966
-
-
0.712
298.35552
ophthalmic acid
Ophthalmic acid
ME720726
-
-
7.124
288.12044
OxidizedPhotinusluciferin
Oxidized Photinus luciferin
ME720722
-
-
5.522
558.98958
Palmitoleicacid
Palmitoleic acid
ME720924
-
-
0.721
253.21751
Pantetheine
Pantetheine
ME720979
-
-
0.921
277.12296
Pantothenic acid
Pantothenic acid
ME720804
-
-
5.036
218.10314
N-alpha-Acetylarginine
Pelargonidin
ME720944
-
-
6.301
215.11473
phe-ile
Phe-Ile
ME720952
-
-
3.676
277.15603
L-Phenylalanine
Phenylalanine
ME720837
-
-
4.63
164.07093
(-)-Quebrachitol
Pinitol
ME720774
-
-
3.044
193.07128
Pseudouridine
Pseudouridine
ME720760
-
-
4.658
243.062295
Nicotianamine
(R,S,S)-Nicotianamine
ME720839
-
-
5.333
302.13612
9-Hydroxy-10-undecenoic acid
(S)-9-Hydroxy-10-undecenoic acid
ME720689
-
-
0.775
199.13357
Saccharopine
Saccharopine
ME720808
-
-
8.14
275.12528
Carbocysteine
S-Carboxymethyl-cysteine
ME720934
-
-
3.532
178.0173
ser-asp
Ser-Asp
ME720891
-
-
7.852
219.06203
ser-gln
Ser-Gln
ME720903
-
-
7.168
232.09373
Ser-Glu
Ser-Glu
ME720732
-
-
4.793
233.07786
Ser-Ser
Ser-Ser
ME720838
-
-
7.194
191.06683
ser-thr
Ser-Thr
ME720870
-
-
6.893
205.08262
beta-Glycerophosphoricacid
sn-Glycero-2-phosphate
ME720866
-
-
5.383
194.008685
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME720734
-
-
6.686
214.04825
[FA(18:4)]6Z_9Z_12Z_15Z-octadecatetraenoicacid
Stearidonic acid
ME720929
-
-
0.717
275.20198
Streptamine 4-phosphate
Streptamine 4-phosphate
ME720910
-
-
6.762
257.05462
Tauropine
Tauropine
ME720717
-
-
3.85
196.02806
L-Threonicacid
Threonic acid
ME720754
-
-
4.054
135.02999
Threonylleucine
Thr-Leu
ME720982
-
-
5.153
231.13495
threonylphenylalanine
Thr-Phe
ME720985
-
-
4.601
265.11962
Treosulfan
Treosulfan
ME720845
-
-
4.574
277.00553
Troxipide
Troxipide
ME720955
-
-
4.251
293.15114
Trp-Phe
Trp-Phe
ME720990
-
-
3.703
350.15151
Trp-Trp
Trp-Trp
ME720829
-
-
5.064
389.16364
Uridine 5'-diphosphogalactose
UDP-galactose
ME720749
-
-
7.591
565.04842
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME720859
-
-
7.374
606.07515
Undecanedioic acid
Undecanedioic acid
ME720688
-
-
0.88
245.139495
Uplandicine
Uplandicine
ME720692
-
-
0.801
356.17201
Uracil
Uracil
ME720745
-
-
1.125
111.01884
Uridine
Uridine
ME720743
-
-
2.913
243.06225
Val-Met
Val-Met
ME720960
-
-
4.476
247.11237
val-phe
Val-Phe
ME720964
-
-
3.976
263.140405
Valylvaline
Val-Val
ME720996
-
-
4.799
215.13988
Versicolorin B
Versicolorin B
ME720841
-
-
4.633
399.07236
Xanthine
Xanthine
ME720810
-
-
3.444
151.02522
Xylitol
Xylitol
ME720775
-
-
5.093
151.06034
D-Xylulose 5-phosphate
Xylulose 5-phosphate
ME720685
-
-
7.285
214.0063125
Zalcitabine
Zalcitabine
ME720802
-
-
5.575
210.0880925
Zonisamide
Zonisamide
ME720796
-
-
0.553
211.01796
"12-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-6,6,8a...
-
ME720915
-
-
5.144
501.17777
"1-(3,4-Dimethoxyphenyl)-3,5-decanediyl diacetate"
-
ME720930
-
-
0.895
393.22899
1_3_5-trimethoxybenzene
-
ME720933
-
-
0.826
167.07067
"1,3-Nonanediol acetate"
-
ME720723
-
-
0.824
201.14924
"1-(5,6-Dihydro-7H-[1,3]benzodioxolo[6,5,4-de]benz...
-
ME720842
-
-
4.962
304.09763
1_5-Anhydro-D-mannitol
-
ME720697
-
-
3.116
163.06049
1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one
-
ME720680
-
-
0.719
183.10207
1-alpha-D-Galactosyl-myo-inositol
-
ME720687
-
-
6.391
377.08604
1-Deoxy-L-mannitol
-
ME720706
-
-
3.061
165.07607
1F-beta-D-Fructosylsucrose
-
ME720860
-
-
7.205
563.18353
"1-Methyl-3,6-(1H,2H)-pyridazinedione"
-
ME720816
-
-
0.861
125.03459
"(1R,5S,6R,7R,9S,11S,12S,13S,14S)-3-Amino-14-methy...
-
ME720865
-
-
6.811
302.09973
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid
-
ME720788
-
-
7.719
236.02337
2_2'-Iminodipropanoate
-
ME720771
-
-
5.302
160.060745
2_4_6/3_5-Pentahydroxycyclohexanone
-
ME720914
-
-
0.886
177.03982
"2,4-Diamino-6-nitrotoluene"
-
ME720868
-
-
6.1
166.06143
"2,5-Dimethyl-4-ethoxy-3(2H)-furanone"
-
ME720686
-
-
0.748
155.07058
2-(Acetamidomethylene)succinate
-
ME720922
-
-
6.644
186.0403
2-(acetylamino)-4-(methylthio)butanoic acid
-
ME720820
-
-
3.221
190.052145
2-(beta-D-Glucosyl)-sn-glycerol
-
ME720863
-
-
3.472
253.09305
2-coumarate
-
ME720818
-
-
0.888
163.03931
"2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine"
-
ME720896
-
-
6.23
166.09784
2-Ethylhexyl sulfate
-
ME720780
-
-
0.588
209.08499
2-Hydroxy-3-(4-hydroxyphenyl)propenoate
-
ME720878
-
-
0.864
179.03437
"2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol"
-
ME720715
-
-
5.446
176.09222
2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitr...
-
ME720873
-
-
0.711
223.02813
2-Naphthalenesulfonic acid
-
ME720813
-
-
0.728
207.01177
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate
-
ME720917
-
-
0.754
181.08645
(2S)-2-[(1-Carboxyethyl)amino]-4-(dimethylsulfonio...
-
ME720712
-
-
0.867
234.08047
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
-
ME720738
-
-
3.435
188.09227
(2S_3R)-3-Hydroxybutane-1_2_3-tricarboxylate
-
ME720888
-
-
5.911
205.03507
"(2S)-4-(Methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-tri...
-
ME720755
-
-
5.97
310.09704
2-Sulfosuccinic acid
-
ME720819
-
-
7.545
196.97566
"3-(1-cyano-1,2-dihydroisoquinolin-2-yl)-3-oxoprop...
-
ME720942
-
-
0.691
283.10899
"3-(2-hydroxyethyl)-1,2,3,4-tetrahydrothieno[3,2-d...
-
ME720789
-
-
0.794
211.01798
"3,4-dihydroxyglutamic acid"
-
ME720943
-
-
4.458
178.0364
3_4-Dihydroxyphenylethyleneglycol
-
ME720894
-
-
0.902
169.04992
3_5-Dihydroxy-phenylglycine
-
ME720801
-
-
0.836
182.04533
3-Hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]pr...
-
ME720831
-
-
7.557
266.95845
3-Hydroxy-4-methylanthranilate
-
ME720729
-
-
1.309
166.05019
3-Hydroxynonanoic acid
-
ME720679
-
-
0.87
173.11757
4-Acetamido-2-amino-6-nitrotoluene
-
ME720920
-
-
5.849
208.07247
4-chloro-1H-indazol-3-amine
-
ME720844
-
-
3.706
166.01718
4-Hydroxy-3-methoxyphenylglycolsulfate;MHPG-sulfat...
-
ME720830
-
-
0.81
263.02341
4-Nitrocatechol sulfate
-
ME720758
-
-
2.291
233.97243
4-Nitrophenyl-3-ketovalidamine
-
ME720995
-
-
6.913
295.09383
(4S)-4_6-Dihydroxy-2_5-dioxohexanoate
-
ME720699
-
-
6.328
175.02416
5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline
-
ME720695
-
-
2.563
190.05048
"5,9-Dihydroxy-10-methoxy-11-methylfuro[2,3-c]acri...
-
ME720805
-
-
5.058
310.07307
5'-Oxoinosine
-
ME720811
-
-
5.794
281.05178
5-Phosphonooxy-L-lysine
-
ME720798
-
-
8.404
241.05946
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-...
-
ME720976
-
-
4.254
261.12809
6_7-Dimethyl-8-(1-D-ribityl)lumazine
-
ME720857
-
-
7.044
325.11575
6-Acetamido-3-aminohexanoate
-
ME720947
-
-
5.285
187.108305
6-Pyruvoyltetrahydropterin
-
ME720852
-
-
3.452
236.078915
7-deoxyloganetin
-
ME720898
-
-
0.818
211.09731
8-Hydroxyclomipramine
-
ME720827
-
-
5.053
389.16348
8-Oxocoformycin
-
ME720731
-
-
6.416
281.08814
Ala-Tyr(Alanyltyrosine)
-
ME720927
-
-
4.826
251.1038667
alpha-Asp-ala
-
ME720826
-
-
7.665
203.066955
alpha-L-Arabinose
-
ME720817
-
-
5.441
209.06638
anticapsin
-
ME720872
-
-
6.23
443.16648
APM
-
ME720825
-
-
7.209
174.07648
Ascorbicacid-2-sulfate
-
ME720916
-
-
6.447
254.98182
beta-Aspartylaspartic acid
-
ME720983
-
-
8.225
247.05726
(+)-calycanthidine
-
ME720861
-
-
0.789
359.22343
clazolam
-
ME720711
-
-
5.515
311.09463
Clostebol acetate
-
ME720728
-
-
4.634
363.17337
Cyclopenol
-
ME720747
-
-
5.512
309.08788
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine
-
ME720815
-
-
4.624
242.07824
Desmethyl Lacosamide
-
ME720987
-
-
4.535
235.108785
Dexamisole
-
ME720847
-
-
0.695
203.06435
D-Iditol
-
ME720677
-
-
5.481
181.07121
Dimefox
-
ME720883
-
-
5.524
153.05968
Dimethylaminopropionylphenothiazine
-
ME720778
-
-
0.694
297.10696
DL-Arginine-6C13
-
ME720720
-
-
8.401
179.12387
DL-Lactic Acid
-
ME720693
-
-
5.195
89.02314667
DL-Phenylalanine-6C13
-
ME720759
-
-
4.631
170.09101
EDDA
-
ME720911
-
-
6.984
175.07175
EPINEPHRINE 4-SULFATE
-
ME720880
-
-
4.298
262.03941
[FA(18:0)]12R_13S-epoxy-9Z-octadecenoicacid
-
ME720972
-
-
0.721
277.21758
[FA(18:1)]9Z-Octadecen-12-ynoicacid
-
ME720971
-
-
0.718
277.21755
[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicaci...
-
ME720748
-
-
6.579
174.03999
[FAdihydoxy(2:0/2:0)]6_9S-epoxy-11R_15S-dihydoxy-5...
-
ME720926
-
-
0.863
351.21814
[FAhydroxy(4:0)]N-(3S-hydroxy-butanoyl)-homoserine...
-
ME720703
-
-
0.906
168.06593
Fludorex
-
ME720790
-
-
5.053
232.09526
formyl-isoglutamine
-
ME720824
-
-
5.787
173.05614
Fortimicin AP
-
ME720709
-
-
4.939
333.2132
Gabexate
-
ME720994
-
-
4.408
320.16194
gamma-Glutamyl-gamma-aminobutyraye
-
ME720884
-
-
5.338
231.09854
gamma-thiomethyl glutamate
-
ME720977
-
-
3.773
192.03308
geranyl phosphate
-
ME720782
-
-
5.047
233.0948
Ggamma-L-Glutamyl-L-glutamicacid
-
ME720953
-
-
6.685
275.08888
glycyclamide
-
ME720906
-
-
3.899
295.11247
Gly-DL-Phe
-
ME720991
-
-
4.688
221.09298
H-DL-MET-DL-MET-OH
-
ME720962
-
-
4.342
279.08453
Hexyl 2-furoate
-
ME720936
-
-
0.885
391.21321
HP1760000
-
ME720901
-
-
4.535
341.11771
(-)-Isopiperitenone
-
ME720907
-
-
0.834
209.11804
"Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropan...
-
ME720895
-
-
0.744
239.09254
L-Carnitinamide
-
ME720882
-
-
8.724
159.11312
L(+)-Citrulline;2-Amino-5-uredovalerate
-
ME720735
-
-
6.833
174.08775
"L-Serine, anhydride with 5′-adenylic acid (1:1)...
-
ME720714
-
-
4.699
433.0881
L-serine phosphoethanolamine
-
ME720784
-
-
8.128
227.04372
Lumacaftor
-
ME720702
-
-
4.718
451.11225
"LYSINOALANINE, (S,R)-"
-
ME720923
-
-
8.682
232.13027
Marimastat
-
ME720998
-
-
4.584
330.20394
mebutamate
-
ME720909
-
-
3.481
231.13494
MEIQX
-
ME720886
-
-
6.239
212.09478
Melonal
-
ME720951
-
-
0.71
279.23321
Methyl alpha-aspartylphenylalaninate
-
ME720980
-
-
6.437
293.11476
Metoxuran
-
ME720902
-
-
6.174
227.05902
MFCD00020424
-
ME720945
-
-
3.241
311.140555
MFCD00025555
-
ME720698
-
-
5.124
201.1240833
MFCD00037215
-
ME720925
-
-
7.347
217.082705
MFCD00133175
-
ME720836
-
-
0.717
267.23322
MFCD00153469
-
ME720777
-
-
0.884
228.16038
N-(2_3-Dihydroxybenzoyl)-L-serine
-
ME720948
-
-
7.072
240.05141
N-(2-Amino-4-methylpentanoyl)glutamine
-
ME720965
-
-
5.847
258.14622
"N~2~,N~6~-Bis(2,3-dihydroxybenzoyl)-L-lysinamide"
-
ME720876
-
-
6.677
416.14523
N-[(2S)-2-Hydroxypropanoyl]methionine
-
ME720721
-
-
3.347
220.06468
"N~4~-Carboxy-1-(beta-D-ribofuranosyl)-1H-imidazol...
-
ME720899
-
-
6.236
273.08449
N-(6-Aminohexanoyl)-6-aminohexanoate
-
ME720959
-
-
4.072
243.1714
N8ONU3L3PG
-
ME720905
-
-
0.9
224.1291
N-Acetyl-4-O-acetylneuraminate
-
ME720683
-
-
7.016
350.10973
N-Acetyl-beta-D-galactosamine
-
ME720821
-
-
4.944
256.05952
nialamide
-
ME720783
-
-
0.923
297.13462
NP-021698
-
ME720941
-
-
4.041
222.07699
Octahydrocoumarin
-
ME720834
-
-
0.78
153.0913
Octylaldehyde
-
ME720675
-
-
0.859
173.11768
Ovothiol A
-
ME720956
-
-
6.957
200.04957
PC4959775
-
ME720823
-
-
0.697
197.06032
pirenoxine
-
ME720908
-
-
5.238
307.03515
Primidolol
-
ME720970
-
-
3.484
332.16203
p-Toluenesulfonic acid
-
ME720835
-
-
0.757
171.01144
(R)-3-(4-Hydroxyphenyl)lactate
-
ME720869
-
-
4.347
181.04999
S-[(1Z)-N-Hydroxy-7-(methylsulfanyl)heptanimidoyl]...
-
ME720867
-
-
7.113
293.09945
Secnidazole
-
ME720730
-
-
5.52
184.0723
[Similar to: 11-trans Leukotriene C4; ?Mass: -318....
-
ME720781
-
-
7.075
305.97809
"[Similar to: 11(Z),14(Z)-Eicosadienoic acid; ?Mas...
-
ME720864
-
-
4.954
199.02761
"[Similar to: 11(Z),14(Z)-Eicosadienoic acid; ?Mas...
-
ME720740
-
-
4.581
199.02751
"[Similar to: (1S,4R,4aS,8aS)-1,2-Bis(hydroxymethy...
-
ME720690
-
-
1.76
233.10294
[Similar to: 2-(acetylamino)-4-(methylthio)butanoi...
-
ME720919
-
-
3.174
190.11756
"[Similar to: 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benz...
-
ME720940
-
-
2.899
186.02251
[Similar to: D-(-)-Glutamine; ?Mass: 168.0515 Da]
-
ME720855
-
-
6.653
313.113345
[Similar to: Docosahexaenoyl Ethanolamide; ?Mass: ...
-
ME720713
-
-
5.998
254.01559
[Similar to: Docosahexaenoyl Ethanolamide; ?Mass: ...
-
ME720840
-
-
6.03
190.01502
"[Similar to: Ethyl N?[({4?[(1E)?2?{4?[(1E)?2?(2,5...
-
ME720673
-
-
9.238
203.0227
[Similar to: Guanosine 5'-diphospho-D-mannose; ?Ma...
-
ME720762
-
-
7.457
362.05123
[Similar to: Guanosine 5'-diphospho-D-mannose; ?Ma...
-
ME720761
-
-
7.429
362.05132
[Similar to: NP-019848; ?Mass: -353.2335 Da]
-
ME720741
-
-
2.888
212.10206
[Similar to: Pantothenic acid; ?Mass: 0.0068 Da]
-
ME720848
-
-
5.07
218.1102
"[Similar to: ?,?-Trehalose; ?Mass: -0.1417 Da]"
-
ME720822
-
-
5.994
340.96724
[Similar to: Xanthine; ?Mass: 85.0163 Da]
-
ME720846
-
-
3.372
236.04247
tolfamide
-
ME720889
-
-
6.424
194.04858
trans-Petroselinic acid
-
ME720862
-
-
0.71
281.2489
Xylenesulfonate
-
ME720939
-
-
0.739
185.02715
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