Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
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_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-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME720128
-
-
3.658
118.068205
"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-Cyclohexenecarboxylic Acid
Cyclohex-1-enecarboxylic acid
ME720364
-
-
3.581
168.10174
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-Deoxy-L-mannitol
-
ME720408
-
-
3.226
189.07316
1-heptadecanoyl-sn-glycero-3-phosphocholine
LPC 17:0/0:0
ME720423
-
-
4.046
510.35473
1-hexadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-pho...
-
ME720442
-
-
3.546
774.59996
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho...
PC 16:0/18:0
ME720460
-
-
3.66
762.60112
1-Linoleoylglycerophosphocholine
LPC 18:2
ME720306
-
-
3.95
520.33913
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-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
1-Oleoylglycerophosphocholine
LPC 18:1/0:0
ME720273
-
-
3.906
522.354765
1-Palmitoyl-2-hydroxy-sn-glycero-3-PE
LPE 16:0/0:0
ME720525
-
-
3.882
454.29211
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
PC 16:0/18:1
ME720439
-
-
3.326
760.584295
1-palmitoylglycerol;MAG(16:0)
MG 16:0/0:0/0:0
ME720463
-
-
0.697
331.28369
1-Palmitoylglycerophosphocholine
LPC 16:0/0:0
ME720362
-
-
4.062
496.33901
1-Pyrroline-4-hydroxy-2-carboxylate
1-Pyrroline-4-hydroxy-2-carboxylate
ME720165
-
-
7.984
147.07631
"(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-2-oleoyl-sn-glycero-3-phosphoethanolami...
PE 18:0/18:1
ME720494
-
-
3.272
746.56877
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
"2,3,4,5,6-Pentahydroxy-N-(2-hydroxyethyl)hexanami...
N-Gluconyl ethanolamine
ME720371
-
-
5.048
240.10879
2_3_5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME720345
-
-
0.703
182.08102
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
"2,4,6-triaminotoluene"
2,4,6-Triaminotoluene
ME720298
-
-
5.501
138.10249
"2,4-dihydroxyheptadec-16-ynyl acetate"
-
ME720347
-
-
0.695
327.25248
2-(4-Hydroxyphenyl)ethanol(Tyrosol)
Tyrosol
ME720330
-
-
0.758
139.07521
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-Diaminoheptanedioicacid
2,6-Diaminopimelic acid
ME720166
-
-
4.151
191.10242
"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-(alpha-D-Galactosyl)-sn-glycerol3-phosphate
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate
ME720294
-
-
7.928
335.07315
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-Amino-9,10-epoxy-8-oxodecanoic acid"
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME720191
-
-
5.947
248.14893
2-Aminoacetophenone;O-Acetylaniline
-
ME720602
-
-
3.801
177.10215
2-Aminoacrylate
2-Aminoacrylic acid
ME720663
-
-
6.687
88.03979
"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-Ethyl-2-phenylmalonamide
Phenylethylmalonamide
ME720353
-
-
0.68
207.11255
2-Ethyl-5-methylfuran
2-Ethyl-5-methylfuran
ME720369
-
-
0.763
111.08066
2-Hexenoylcarnitine
CAR 6:1
ME720518
-
-
3.752
258.16969
"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-Mercaptoethanol
Mercaptoethanol
ME720474
-
-
1.044
79.02169
"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-methylbutyrylcarnitine
CAR 4:0;2Me
ME720242
-
-
4.201
246.16963
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-(Methylthio)ethanol
-
ME720452
-
-
0.965
93.0373
2-Oxindole
Indolin-2-one
ME720376
-
-
0.678
134.06
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate
-
ME720398
-
-
0.75
183.10144
2-Phenylethanol
2-Phenylethanol
ME720188
-
-
0.741
123.08051
"(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-3-(4-hydroxyphenyl)propanoate
beta-Tyrosine
ME720343
-
-
0.711
182.08105
"3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione"
-
ME720552
-
-
6.745
155.08134
3-Aminopropane-1-sulfonic acid
Cerebril
ME720608
-
-
5.591
140.0375
3-BHA
-
ME720661
-
-
0.861
198.14863
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-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-2-methyl-4-pyrone
Maltol
ME720210
-
-
7.509
127.03902
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-hydroxyoctanoylcarnitine
CAR 8:0;3OH
ME720595
-
-
4.271
304.21138
3-Mercapto-2-butanol
-
ME720333
-
-
0.916
107.0528
3-Mercapto-3-methylbutan-1-ol
-
ME720412
-
-
0.835
121.06826
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-Methylsulfolene
-
ME720303
-
-
5.335
133.03178
3-(Pyrazol-1-yl)-L-alanine
3-(Pyrazol-1-yl)-L-alanine
ME720327
-
-
6.312
156.07664
(3R)-beta-Leucine
beta-Leucine
ME720430
-
-
4.002
132.101862
"(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-Acetamidobenzoic acid
4-Acetamidobenzoic acid
ME720337
-
-
0.695
184.32251
"(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)met...
-
ME720403
-
-
0.799
198.09746
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
"(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-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME720157
-
-
4.091
146.54336
4-Indolecarbaldehyde
Indole-4-carboxaldehyde
ME720539
-
-
4.561
146.05991
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME720269
-
-
0.81
144.04765
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTA...
NNAL-N-oxide
ME720236
-
-
5.645
226.11831
"4-(Methylthio)-6-(4-pyridyl)-1,3,5-triazin-2-amin...
-
ME720277
-
-
6.339
220.06896
4-Nitroaniline
4-Nitroaniline
ME720328
-
-
6.314
156.07666
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-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME720161
-
-
7.215
255.06415
5-Methoxybenzimidazole
-
ME720587
-
-
0.903
149.07082
5-Methyldeoxycytidine
5-Methyldeoxycytidine
ME720323
-
-
6.026
242.11326
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-methyltetrahydropterin
6-Methyltetrahydropterin
ME720397
-
-
2.865
182.10355
"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
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
8-DEMETHYL MEIQX
-
ME720309
-
-
6.311
200.09373
8'-Hydroxyabscisate
-
ME720316
-
-
0.71
281.13793
Acadesine
AICAR
ME720459
-
-
3.602
259.10341
Aceclidine
Aceclidine
ME720152
-
-
0.935
170.11737
Acetohydroxamic acid
Acetohydroxamic acid
ME720484
-
-
6.457
76.03991
Acetonecyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME720546
-
-
0.977
118.08643
Acetylcholine
Acetylcholine
ME720200
-
-
3.225
146.1173933
Acetyl-L-carnitine
CAR 2:0
ME720630
-
-
5.88
204.12285
Acetyl-?-methylcholine
-
ME720336
-
-
5.867
160.13306
Adenine
Adenine
ME720454
-
-
2.585
136.06167
Adenosine
Adenosine
ME720496
-
-
2.843
268.10359
afegostat
-
ME720354
-
-
5.849
148.09664
AJ6475000
-
ME720264
-
-
4.492
168.03237
Alanyltryptophan
Ala-Trp
ME720627
-
-
5.177
276.13389
Ala-Pro(Alanyl-Proline)
Ala-Pro
ME720124
-
-
3.671
280.157555
Allopurinol
Allopurinol
ME720267
-
-
2.974
137.0456833
allylcysteine
S-Allylcysteine
ME720189
-
-
3.813
162.0581367
alpha-methylstyrene
-
ME720637
-
-
2.315
119.08566
anacardic acid
Anacardic acid
ME720404
-
-
0.669
349.27308
Anthranilic acid
2-Aminobenzoic acid
ME720427
-
-
0.856
138.0548
apronalide
-
ME720349
-
-
3.895
185.1283
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
Asparaginyl-4-hydroxyproline
-
ME720551
-
-
7.463
263.13461
Aspartyl-L-proline
Asp-Pro
ME720250
-
-
6.847
231.0973
Bemegride
-
ME720272
-
-
0.935
156.10178
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
beta-Glycerophosphoricacid
sn-Glycero-2-phosphate
ME720259
-
-
7.005
173.02084
Betaine
Betaine
ME720172
-
-
5.743
118.08634
Bethanidine
-
ME720218
-
-
2.404
178.13372
Bicyclo Prostaglandin E2
Bicyclo-PGE2
ME720580
-
-
0.94
357.20561
Bis(2-ethylhexyl)adipate
Diethylhexyl adipate
ME720503
-
-
0.646
371.31484
Bis(4-ethylbenzylidene)sorbitol
-
ME720432
-
-
0.709
306.163975
Bluensidine
-
ME720235
-
-
5.802
265.1131
Botrydial
Botrydial
ME720381
-
-
0.72
311.18472
Butabarbital
Butabarbital
ME720567
-
-
6.108
213.12315
Butenylcarnitine
CAR 4:1
ME720387
-
-
5.217
230.13844
Butylbutyrate
Butyl butanoate
ME720359
-
-
0.712
145.12215
Butyryl-L-carnitine
CAR 4:0
ME720473
-
-
4.75
232.15404
BX9286000
-
ME720444
-
-
6.673
310.1756
Capryloylglycine
Capryloylglycine
ME720639
-
-
0.895
202.1436
Carbocysteine
S-Carboxymethyl-cysteine
ME720656
-
-
4.394
180.03231
carglumic acid
Carglumic acid
ME720641
-
-
7.304
191.066
Carnosine
Carnosine
ME720158
-
-
8.033
227.11354
Carnosine(beta-alanyl-L-histidine)
-
ME720262
-
-
5.988
227.11358
Catechol;1_2-Dihydroxybenzene
-
ME720658
-
-
0.893
152.07044
CDP-ethanolamine
CDP-Ethanolamine
ME720401
-
-
8.264
447.06704
chavicol
-
ME720244
-
-
0.711
135.080325
Choline
Choline
ME720351
-
-
4.473
104.1072833
Cholinesulfate
Choline sulfate
ME720451
-
-
5.221
184.06369
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
CU5774000
-
ME720390
-
-
0.72
153.090845
Cyclohex-2-enone
Cyclohex-2-enone
ME720520
-
-
7.149
97.0652
cys-gln
Cys-Gln
ME720668
-
-
6.869
250.08531
cys-val
Cys-Val
ME720615
-
-
6.103
221.09522
Cytarabine
Cytarabine
ME720296
-
-
4.78
244.0925
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine
-
ME720313
-
-
7.516
244.0924
Cytidine 5'-diphosphocholine
CDP-choline
ME720350
-
-
9.024
489.113995
Cytidine 5'-monophosphate (hydrate)
CMP
ME720274
-
-
8.261
324.05863
Cytosine
Cytosine
ME720289
-
-
3.926
156.3918867
D-2-Amino-hexano-6-lactam
Undecylprodigiosin
ME720392
-
-
6.753
161.12832
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
DD9275000
-
ME720278
-
-
0.634
133.0759767
delta-Guanidinovalericacid
DGVA
ME720624
-
-
5.334
160.107935
Deoxycytidine
Deoxycytidine
ME720326
-
-
3.931
228.097565
Dexamisole
-
ME720483
-
-
0.705
205.07917
di(3-pyridyl) 5-(tert-butyl)isophthalate
-
ME720579
-
-
3.813
377.14506
diflumidone
-
ME720216
-
-
6.057
312.04983
Dihydrothymine
Dihydrothymine
ME720634
-
-
6.452
129.06584
Diisodecyl phthalate
Diisodecyl phthalate
ME720524
-
-
0.644
447.34614
Dimefox
-
ME720391
-
-
5.338
155.07498
Dimethylaminopropionylphenothiazine
-
ME720588
-
-
0.708
299.12081
Dinophysistoxin-1
Dinophysistoxin-1
ME720644
-
-
0.953
836.52103
dinotefuran
Dinotefuran
ME720653
-
-
5.935
203.1137
DINP
Diisononyl phthalate
ME720665
-
-
0.651
419.31472
DL-Arginine
Arginine
ME720288
-
-
7.751
175.118795
DL-Arginine-6C13
-
ME720254
-
-
7.752
181.13879
DL-Dipalmitoylphosphatidylcholine
-
ME720438
-
-
3.387
734.568585
DL-Glutamine
Glutamine
ME720513
-
-
6.667
147.07623
DL-Phenylalanine-6C13
-
ME720380
-
-
0.934
172.10622
DL-Serine
Serine
ME720629
-
-
6.645
106.05017
DL-Serine-13C3
Serine
ME720300
-
-
6.656
109.06019
DL-Tryptophan
Tryptophan
ME720648
-
-
4.56
205.09694
D-myo-Inositol1_2-cyclicphosphate
Inositol cyclic phosphate
ME720492
-
-
7.357
243.02628
DOG
-
ME720394
-
-
0.726
345.26315
D-O-Phosphoserine
-
ME720145
-
-
8.118
186.01604
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
D-(+)-Pyroglutamic Acid
-
ME720226
-
-
7.498
147.07626
D-Raffinose
Raffinose
ME720358
-
-
7.477
522.20209
(E)-4-hydroxyphenylacetaldehydeoxime
-
ME720601
-
-
0.924
152.07035
Ecgonine
Ecgonine
ME720431
-
-
5.253
186.11232
Ectoine
Ectoine
ME720561
-
-
3.792
159.09445
EDDA
-
ME720480
-
-
7.559
177.08684
Eglumetad
-
ME720155
-
-
8.036
186.07591
EGTA
-
ME720635
-
-
4.71
381.15177
Elaeokanine C
Elaeokanine C
ME720252
-
-
0.81
212.16421
Epinephrine(OrL-Adrenaline)
-
ME720182
-
-
0.678
172.0896033
epsilon-(gamma-Glutamyl)-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME720415
-
-
4.147
276.15502
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
eugenol sulfate
Eugenol sulfate
ME720178
-
-
6.13
245.04812
[FA(18:2)]9Z_11E-octadecadienoicacid
Rumenic acid
ME720245
-
-
0.699
281.247
[FA(20:4)]17R_18S-epoxy-5Z_8Z_11Z_14Z-eicosatetrae...
-
ME720385
-
-
0.703
301.21571
[FAamino(5:0)]2S-amino-pentanoicacid
2S-Aminopentanoic acid
ME720374
-
-
0.988
118.086425
[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicaci...
-
ME720160
-
-
5.855
198.03712
[FAoxo(12:0)]12-oxo-10E-dodecenoicacid
Traumatin
ME720489
-
-
3.773
213.1483
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid
(S)-5-Amino-3-oxohexanoate
ME720192
-
-
1.553
146.081045
Fructoselysine
Fructosyllysine
ME720562
-
-
8.675
309.16515
Furfural;Furan-2-carbaldehyde
-
ME720329
-
-
7.476
97.02881
Gabapentin
Gabapentin
ME720197
-
-
2.228
172.13302
Gabexate
-
ME720159
-
-
5.062
385.18242
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME720481
-
-
5.643
217.11804
(+/-)-Gingerol
Gingerol
ME720636
-
-
0.728
295.18996
gln-asn
Gln-Asn
ME720206
-
-
6.714
261.11903
Glucose 1-phosphate
Glucose 1-phosphate
ME720600
-
-
8.733
261.03668
Glu-Gly
Glu-Gly
ME720534
-
-
7.499
205.08181
Glutarylcarnitine
CAR DC5:0
ME720287
-
-
6.141
276.14378
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME720450
-
-
5.336
247.05757
glycidyl oleate
-
ME720666
-
-
0.662
339.28859
Glycylglutamine
Gly-Gln
ME720482
-
-
6.979
204.09773
Gly-Pro(Glycylproline)
-
ME720299
-
-
4.825
190.11844
Guanidinosuccinic acid
Guanidinosuccinic acid
ME720186
-
-
5.014
176.06566
Guanine
Guanine
ME720137
-
-
4.18
152.056515
Guanosine
Guanosine
ME720643
-
-
4.937
284.0985
Guanylurea
-
ME720510
-
-
4.02
103.06174
Gynocardin
Gynocardin
ME720130
-
-
4.183
304.10262
H-DL-MET-DL-MET-OH
-
ME720631
-
-
4.891
281.09841
hercynine
Hercynine
ME720479
-
-
5.633
198.12352
Hexanoylcarnitine
CAR 6:0
ME720591
-
-
3.878
260.1853
Hexatriyne
-
ME720416
-
-
0.679
92.04968
Hexylamine
Hexylamine
ME720356
-
-
3.249
102.128
his-met
His-Met
ME720341
-
-
7.207
287.11679
His-Ser
His-Ser
ME720122
-
-
8.128
263.62173
Histidylglycine
His-Gly
ME720151
-
-
8.252
213.09794
HO-dPEG8-OH
-
ME720541
-
-
0.991
388.25348
Hydrocotarnine
-
ME720578
-
-
0.685
222.11216
Hydroxyhexanoycarnitine
CAR 6:0;OH
ME720389
-
-
5.006
276.180195
Hypotaurine
Hypotaurine
ME720239
-
-
6.123
110.02729
Hypoxanthine
Hypoxanthine
ME720148
-
-
4.098
137.04564
β-D-Ribofuranosylcreatine
-
ME720609
-
-
6.669
264.11865
ile-his
Ile-His
ME720126
-
-
6.439
269.160395
Imagabalin
-
ME720261
-
-
2.05
174.148725
Imetit
Imetit
ME720175
-
-
6.85
171.069825
Imidazole-4-acetaldehyde
Imidazole-4-acetaldehyde
ME720357
-
-
6.313
111.0554
Iminoerythrose4-phosphate
-
ME720367
-
-
8.113
200.03164
Indane
-
ME720334
-
-
0.709
119.08549
Inosine
Inosine
ME720149
-
-
4.096
269.087615
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
?-Lactose
Lactose
ME720491
-
-
6.504
360.149335
?-Lapachone
-
ME720471
-
-
5.427
243.09904
L-Carnitinamide
-
ME720393
-
-
6.744
161.12829
L(-)-Carnitine
Carnitine
ME720221
-
-
6.436
162.11223
L-(+)-Citrulline
Citrulline
ME720140
-
-
6.836
187.095685
L-Cystathionine
Cystathionine
ME720486
-
-
8.353
223.07443
L-Cystine
Cystine
ME720414
-
-
8.555
241.03079
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
L-gamma-Glutamyl-L-leucine
gamma-Glutamylleucine
ME720229
-
-
5.322
261.14423
L-Glutamic acid
Glutamic acid
ME720164
-
-
6.829
148.060245
L-Glutaminyl-L-proline
Gln-Pro
ME720322
-
-
6.942
244.12889
L-Glutathione (reduced)
Glutathione
ME720436
-
-
7.49
308.09063
L-Histidine
Histidine
ME720219
-
-
8.218
156.0766
L-Hypoglycin
-
ME720667
-
-
0.942
142.08616
Linamarin
Linamarin
ME720654
-
-
7.403
248.11263
L-Indospicine
Indospicine
ME720651
-
-
4.963
174.12358
L-Lysine
Lysine
ME720171
-
-
7.984
147.11265
L-(-)-Methionine
Methionine
ME720377
-
-
5.343
72.04504
L-MethionineS-oxide
Methionine sulfoxide
ME720515
-
-
6.85
166.05311
Lotaustralin
Lotaustralin
ME720488
-
-
7.084
262.12818
L(-)-Pipecolinic acid
-
ME720141
-
-
8.059
130.08623
L-serine phosphoethanolamine
-
ME720147
-
-
8.118
229.05813
L-Threonine
Threonine
ME720487
-
-
6.463
120.065635
L-Tyrosine
Tyrosine
ME720669
-
-
5.528
173.56778
L-Tyrosine methyl ester
Methyl tyrosinate
ME720202
-
-
2.917
196.09663
lycopsamine
Lycopsamine
ME720671
-
-
4.349
300.1801
"LYSINOALANINE, (S,R)-"
-
ME720209
-
-
8.456
234.14458
lys-leu
Lys-Leu
ME720173
-
-
6.911
260.19656
LysoPC(P-18:0)
LPC P-18:0
ME720464
-
-
4.074
508.37547
"lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,...
-
ME720319
-
-
3.442
526.29215
Lys-phe
Lys-Phe
ME720187
-
-
6.734
294.18084
Maleamate
Maleamate
ME720596
-
-
7.611
116.03439
Maraniol
-
ME720283
-
-
0.677
222.11217
Mebendazole
-
ME720592
-
-
0.697
296.10409
mebutamate
-
ME720204
-
-
3.665
233.14931
Medroxalol
-
ME720208
-
-
0.694
373.17518
Metanephrine
L-Metanephrine
ME720224
-
-
3.698
180.10174
met-enkephalin
MET-enkephalin
ME720213
-
-
4.715
574.23265
Methionylleucine
Met-Leu
ME720418
-
-
4.377
263.14201
Methionylphenylalanine
Met-Phe
ME720585
-
-
4.197
297.1263
Methionylserine
Met-Ser
ME720521
-
-
5.985
237.09005
Methyl-3-aminobenzoate
-
ME720271
-
-
0.686
115.54434
Methylglyoxal
Pyruvaldehyde
ME720234
-
-
5.636
162.07593
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME720650
-
-
6.372
141.06572
metominostrobin
-
ME720433
-
-
0.693
285.12288
Metronidazole
Metronidazole
ME720406
-
-
7.076
172.07147
met-val
Met-Val
ME720605
-
-
5.271
249.12647
MFCD00020424
-
ME720657
-
-
3.716
313.15414
MFCD00025555
-
ME720529
-
-
5.839
203.13888
MFCD00042898
-
ME720642
-
-
11.507
873.69287
MFCD00153469
-
ME720575
-
-
0.826
230.1748
Monoolein
MG 18:1
ME720425
-
-
0.723
357.29929
Monostearin
-
ME720476
-
-
0.695
359.31491
Muramic acid
Muramic acid
ME720448
-
-
7.483
220.08131
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
N1-Acetylspermidine
N1-Acetylspermidine
ME720368
-
-
7.538
188.17557
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME720131
-
-
8.031
204.08646
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME720125
-
-
3.717
219.1337033
"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
N5-Ethyl-L-glutamine
N(5)-Ethyl-glutamine
ME720560
-
-
3.796
175.1076
N^5^-formyl-N^5^-hydroxy-L-ornithine
-
ME720302
-
-
6.853
177.08683
N5-(L-1-Carboxyethyl)-L-ornithine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME720156
-
-
3.922
205.1181167
"N(6),N(6)-Dimethyladenine"
-
ME720170
-
-
3.964
164.09296
"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
N-Acetyl-beta-D-glucosaminylamine
N-Acetyl-beta-glucosaminylamine
ME720181
-
-
4.561
221.11295
N-Acetyl-?-D-glucosamine
N-Acetylglucosamine
ME720670
-
-
5.263
244.07889
N-Acetyl-L-carnosine
N-Acetylcarnosine
ME720652
-
-
7.1
247.13973
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME720399
-
-
4.715
218.1133
N-Acetyl-L-histidine
N-Acetylhistidine
ME720434
-
-
6.313
198.0870733
N-Acetyl-L-methionine
N-Acetylmethionine
ME720457
-
-
2.139
192.06868
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME720379
-
-
0.696
208.09655
N-Acetylornithine
N-Acetylornithine
ME720517
-
-
6.619
175.10757
N-Adenylylanthranilate
-
ME720310
-
-
4.676
467.10891
N(alpha)-Benzyloxycarbonyl-L-leucine
N-Benzyloxycarbonyl-L-leucine
ME720571
-
-
4.149
266.13828
N-Amidino-L-glutamate
alpha-Guanidinoglutaric acid
ME720150
-
-
7.501
190.08203
Naphthalen-2-amine
2-Aminonaphthalene
ME720440
-
-
4.561
144.08069
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
Nicotianamine
(R,S,S)-Nicotianamine
ME720154
-
-
5.547
304.14987
Nicotinamide
Niacinamide
ME720405
-
-
0.958
123.05533
Nicotinamide 1-oxide
-
ME720282
-
-
2.992
139.05238
Nitrosoguvacoline
-
ME720321
-
-
6.126
171.07626
N-lauroylglycine
NA-Gly 12:0
ME720370
-
-
0.711
258.206025
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-Ribosylnicotinamide
Nicotinamide riboside
ME720205
-
-
5.524
255.09717
N-Tridecanoylglycine
-
ME720361
-
-
0.779
272.22157
N-Undecanoylglycine
N-Undecanoylglycine
ME720270
-
-
0.8
244.19038
O-adipoylcarnitine
CAR DC6:0
ME720502
-
-
0.75
290.15922
Oleoylethanolamide
Oleoyl-EA
ME720523
-
-
0.711
326.30478
Oseltamivir
Oseltamivir
ME720238
-
-
5.423
313.21342
Ovothiol A
-
ME720614
-
-
7.477
202.06424
Oxibendazole
-
ME720280
-
-
0.658
250.11794
Palmitoylcarnitine
CAR 16:0
ME720470
-
-
3.244
400.34153
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
PC
-
ME720477
-
-
3.477
786.60013
"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
P-DMEA
N,N-Dimethylethanolamine phosphate
ME720447
-
-
5.432
152.04707
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
Phenylalanylproline
Phe-Pro
ME720279
-
-
4.924
263.13866
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME720455
-
-
7.334
124.99962
Phosphonomycin
Fosfomycin
ME720133
-
-
6.95
139.01531
Piperidine
Piperidine
ME720232
-
-
3.78
122.62293
Pirbuterol
Pirbuterol
ME720338
-
-
6.025
241.15432
Platelet-activating factor
-
ME720417
-
-
4.03
524.37034
PLK
-
ME720243
-
-
8.576
179.12827
Porphyrin
Porphyrin
ME720375
-
-
6.103
311.12813
prinoxodan
-
ME720548
-
-
3.413
259.11861
Proclavaminicacid
Proclavaminic acid
ME720553
-
-
5.031
203.10243
Pro-Hyp
-
ME720258
-
-
6.022
229.11799
Promegestone
Promegestone
ME720402
-
-
0.703
327.23128
Propionylcarnitine
CAR 3:0
ME720409
-
-
5.334
218.1385
Pyridoxamine
Pyridoxamine
ME720249
-
-
7.456
169.09578
Pyridoxamine 5-phosphate
Pyridoxamine 5'-phosphate
ME720215
-
-
4.591
249.06068
Pyrovalerone
-
ME720660
-
-
8.256
246.1809
Pyrrole
Pyrrole
ME720581
-
-
6.558
109.07606
quizalofop
-
ME720339
-
-
5.855
367.04586
Quwenzhi
-
ME720555
-
-
0.855
216.15911
(R)-3-Amino-2-methylpropanoate
-
ME720231
-
-
3.552
104.0709367
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME720190
-
-
5.949
248.14892
RI2735000
-
ME720335
-
-
0.763
155.10644
(S)-2-Acetolactate
(S)-2-Acetolactate
ME720538
-
-
5.09
133.04949
(S)-4-Amino-5-oxopentanoate
-
ME720420
-
-
6.453
132.0655
(S)-4-Hydroxymandelonitrile
4-Hydroxymandelonitrile
ME720344
-
-
0.707
182.08102
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
(-)-Salsoline
-
ME720606
-
-
3.752
194.11742
Salsolinol
Salsolinol
ME720146
-
-
1.687
180.10169
(S)-Carnitine
Carnitine
ME720514
-
-
6.141
203.13888
Secnidazole
-
ME720570
-
-
7.008
186.08715
Secogalioside
Secogalioside
ME720139
-
-
4.162
421.13363
Selsun
-
ME720308
-
-
5.331
112.89594
ser-arg
Ser-Arg
ME720214
-
-
8.299
262.15063
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
[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
(S)-Methylmalonatesemialdehyde
(S)-Methylmalonic acid semialdehyde
ME720468
-
-
7.49
120.0656
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
(S)-Nicotine
Nicotine
ME720383
-
-
4.599
366.26661
spinacine
-
ME720467
-
-
7.516
335.14557
Stachydrine
Stachydrine
ME720466
-
-
6.688
155.4527967
streptonigrin
Streptonigrin
ME720424
-
-
4.787
507.15037
Styrene
Styrene
ME720506
-
-
0.756
122.09648
sulnidazole
-
ME720429
-
-
7.446
259.08571
Taurine
Taurine
ME720255
-
-
4.465
126.021985
TBTC
-
ME720583
-
-
6.018
327.08986
Teneligliptin
-
ME720176
-
-
5.144
427.22938
Tetramethylene sulfoxide
-
ME720395
-
-
0.857
105.03716
thr-arg
Thr-Arg
ME720201
-
-
8.091
276.16627
Threonine
Threonine
ME720582
-
-
3.569
120.06564
Threonylglutamine
Thr-Gln
ME720251
-
-
6.857
231.09727
threonylphenylalanine
Thr-Phe
ME720325
-
-
5.293
267.13356
THTA
2-Tetrahydrothiopheneacetic acid
ME720217
-
-
2.327
164.07379
Tolycaine
-
ME720194
-
-
4.088
279.16988
tranexamic acid
Tranexamic acid
ME720584
-
-
5.432
158.11743
trans-3-Indoleacrylic acid
trans-3-Indoleacrylic acid
ME720237
-
-
4.7
180.74072
Trigonelline
Trigonelline
ME720620
-
-
4.651
138.05481
Troxipide
Troxipide
ME720625
-
-
4.8
295.16486
Trp-Phe
Trp-Phe
ME720532
-
-
3.72
352.16505
Tyramineglucuronide
Coenzyme Q10
ME720363
-
-
4.088
314.12195
Tyrosylalanine
Tyr-Ala
ME720314
-
-
3.654
168.5813
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME720132
-
-
8.029
608.08802
"Uracil - C13,N15"
-
ME720247
-
-
1.47
116.03214
Urocanic acid
Urocanic acid
ME720193
-
-
2.408
139.05008
US4550000
-
ME720443
-
-
6.313
159.41683
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
Valyl-4-hydroxyproline
-
ME720134
-
-
3.781
231.13382
Valylvaline
Val-Val
ME720446
-
-
5.007
217.15448
Xanthine
Xanthine
ME720168
-
-
3.393
153.040545
Xanthosine
Xanthosine
ME720144
-
-
3.841
296.07348
Xanthoxin;Methoxsalen
-
ME720542
-
-
0.762
251.16377
Zalcitabine
Zalcitabine
ME720485
-
-
5.848
212.1026733
Zearalenone
Zearalenone
ME720304
-
-
5.017
319.15358
(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-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-6,6,8a...
-
ME720915
-
-
5.144
501.17777
12-Hydroxydodecanoicacid
12-Hydroxy lauric acid
ME720700
-
-
0.832
215.1651
"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
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-Deoxy-L-mannitol
-
ME720706
-
-
3.061
165.07607
1D-myo-Inositol3-phosphate
Inositol 3-phosphate
ME720751
-
-
7.663
259.02269
1F-beta-D-Fructosylsucrose
-
ME720860
-
-
7.205
563.18353
"1-Methyl-3,6-(1H,2H)-pyridazinedione"
-
ME720816
-
-
0.861
125.03459
1-Methyladenine
1-Methyladenine
ME720724
-
-
4.621
148.06208
1-Methylhistidine
1-Methylhistidine
ME720887
-
-
6.231
168.077165
"(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-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyran...
2,4-Diacetamido-2,4,6-trideoxy-alpha-mannose
ME720963
-
-
7.131
245.11428
"2,4-Diamino-6-nitrotoluene"
-
ME720868
-
-
6.1
166.06143
"2,5-Dimethyl-4-ethoxy-3(2H)-furanone"
-
ME720686
-
-
0.748
155.07058
2_6-Diaminoheptanedioicacid
2,6-Diaminopimelic acid
ME720856
-
-
6.727
189.08756
2-(Acetamidomethylene)succinate
-
ME720922
-
-
6.644
186.0403
2-(acetylamino)-4-(methylthio)butanoic acid
-
ME720820
-
-
3.221
190.052145
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-(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-methoxyacetaminophen sulfate
2-Methoxyacetaminophen sulfate
ME720766
-
-
0.564
260.02366
2-Methylhippuricacid
2-Methylhippuric acid
ME720833
-
-
0.706
192.06613
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
2-Oxooctadecanoicacid
2-Oxo-octadecanoic acid
ME720950
-
-
0.717
279.23327
(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-Amino-3-(4-hydroxyphenyl)propanoate
beta-Tyrosine
ME720807
-
-
0.727
180.066
3'-CMP
3'-CMP
ME720707
-
-
7.72
322.04488
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
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME720938
-
-
5.069
156.06584
3-Pyridylacetic acid
3-Pyridylacetic acid
ME720791
-
-
1.868
136.03935
4-Acetamido-2-amino-6-nitrotoluene
-
ME720920
-
-
5.849
208.07247
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
4-chloro-1H-indazol-3-amine
-
ME720844
-
-
3.706
166.01718
4-Hydroxy-3-methoxyphenylglycolsulfate;MHPG-sulfat...
-
ME720830
-
-
0.81
263.02341
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTA...
NNAL-N-oxide
ME720725
-
-
5.739
338.09744
4-Nitroacetophenone
4-Nitroacetophenone
ME720776
-
-
3.114
164.03457
4-Nitrocatechol sulfate
-
ME720758
-
-
2.291
233.97243
4-Nitrophenyl-3-ketovalidamine
-
ME720995
-
-
6.913
295.09383
4-Oxoproline
4-Oxo-proline
ME720705
-
-
5.538
134.03784
(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-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME720785
-
-
6.886
253.05013
5-methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME720736
-
-
6.713
146.06422
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-Hydroxymelatonin
6-Hydroxymelatonin
ME720984
-
-
4.598
247.11227
6-Pyruvoyltetrahydropterin
-
ME720852
-
-
3.452
236.078915
7-deoxyloganetin
-
ME720898
-
-
0.818
211.09731
8_11_14-Eicosatrienoicacid
Dihomo-gamma-linolenic acid
ME720958
-
-
0.707
305.24895
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME720704
-
-
5.031
300.10669
8-Hydroxyclomipramine
-
ME720827
-
-
5.053
389.16348
8-Oxocoformycin
-
ME720731
-
-
6.416
281.08814
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
9-Hydroxy-10-undecenoic acid
(S)-9-Hydroxy-10-undecenoic acid
ME720689
-
-
0.775
199.13357
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
Ala-Tyr(Alanyltyrosine)
-
ME720927
-
-
4.826
251.1038667
Allopurinol
Allopurinol
ME720737
-
-
2.849
135.03012
alpha-Asp-ala
-
ME720826
-
-
7.665
203.066955
alpha-L-Arabinose
-
ME720817
-
-
5.441
209.06638
?-Aminobutyric acid (GABA)
gamma-Aminobutyric acid
ME720682
-
-
6.503
102.054835
AminoDHQ
AminoDHQ
ME720678
-
-
4.168
188.05589
Aniracetam
Aniracetam
ME720928
-
-
0.723
218.082
Anserine
Anserine
ME720806
-
-
8.516
239.11496
anticapsin
-
ME720872
-
-
6.23
443.16648
APM
-
ME720825
-
-
7.209
174.07648
Arachidonic acid
Arachidonic acid
ME720973
-
-
0.707
303.23327
Ascorbicacid-2-sulfate
-
ME720916
-
-
6.447
254.98182
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
beta-Aspartylaspartic acid
-
ME720983
-
-
8.225
247.05726
beta-Glycerophosphoricacid
sn-Glycero-2-phosphate
ME720866
-
-
5.383
194.008685
(+)-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
(+)-calycanthidine
-
ME720861
-
-
0.789
359.22343
Carbocysteine
S-Carboxymethyl-cysteine
ME720934
-
-
3.532
178.0173
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
clazolam
-
ME720711
-
-
5.515
311.09463
Clostebol acetate
-
ME720728
-
-
4.634
363.17337
Coniferylalcohol
Coniferyl alcohol
ME720900
-
-
0.778
179.0708
Creatine
Creatine
ME720744
-
-
6.107
130.0611
Cyclopenol
-
ME720747
-
-
5.512
309.08788
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine
-
ME720815
-
-
4.624
242.07824
D-Ala-D-Ala
D-Alanyl-D-Alanine
ME720935
-
-
6.698
159.0767
D-Arabinonate
Arabinonic acid
ME720795
-
-
5.525
279.03301
D-Arabitol
Arabitol
ME720890
-
-
4.884
151.06034
D-Arginine
D-Arginine
ME720756
-
-
8.412
173.10372
Deoxycytidine
Deoxycytidine
ME720739
-
-
5.731
226.08319
Desmethyl Lacosamide
-
ME720987
-
-
4.535
235.108785
Dexamisole
-
ME720847
-
-
0.695
203.06435
D-(-)-Fructose
Fructose
ME720949
-
-
5.162
179.0555033
D-(-)-Glutamine
D-Glutamine
ME720733
-
-
6.674
145.06088
D-Iditol
-
ME720677
-
-
5.481
181.07121
Dihydrouridine
5,6-Dihydrouridine
ME720967
-
-
6.443
245.07801
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-?-Leucine
Leucine
ME720809
-
-
4.912
130.0863
DL-Phenylalanine-6C13
-
ME720759
-
-
4.631
170.09101
D-myo-Inositol1_2-cyclicphosphate
Inositol cyclic phosphate
ME720767
-
-
6.908
241.01187
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
D-Xylulose 5-phosphate
Xylulose 5-phosphate
ME720685
-
-
7.285
214.0063125
EDDA
-
ME720911
-
-
6.984
175.07175
EPINEPHRINE 4-SULFATE
-
ME720880
-
-
4.298
262.03941
Erythritol
Erythritol
ME720694
-
-
3.364
121.04956
[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
[FA(18:4)]6Z_9Z_12Z_15Z-octadecatetraenoicacid
Stearidonic acid
ME720929
-
-
0.717
275.20198
[FA(20:0)]11Z-eicosenoicacid
cis-Gondoic acid
ME720793
-
-
0.703
309.28012
[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
[FAhydroxy_oxo(7:0/2:0)]4-hydroxy-2-oxo-Heptanedio...
4-Hydroxy-2-oxo-heptanedioic acid
ME720701
-
-
5.108
189.03993
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-Glu-gln
gamma-Glutamylglutamine
ME720779
-
-
5.49
274.10492
gamma-Glutamyl-gamma-aminobutyraye
-
ME720884
-
-
5.338
231.09854
gamma-L-Glutamylputrescine
gamma-Glutamylputrescine
ME720932
-
-
8.589
216.1351
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
glu-asp
Glu-Asp
ME720957
-
-
6.722
261.0731
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
glu-thr
Glu-Thr
ME720892
-
-
7.353
247.093605
glycyclamide
-
ME720906
-
-
3.899
295.11247
Glycylglutamine
Gly-Gln
ME720904
-
-
7.169
202.08294
Gly-DL-Phe
-
ME720991
-
-
4.688
221.09298
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
H-DL-MET-DL-MET-OH
-
ME720962
-
-
4.342
279.08453
Hexanoylglycine
Hexanoylglycine
ME720843
-
-
2.562
172.09727
Hexyl 2-furoate
-
ME720936
-
-
0.885
391.21321
his-asp
His-Asp
ME720772
-
-
6.505
269.08812
his-gln
His-Gln
ME720746
-
-
6.504
282.11973
HP1760000
-
ME720901
-
-
4.535
341.11771
Inosine
Inosine
ME720764
-
-
4.055
267.07365
Inosinic acid
IMP
ME720850
-
-
7.224
347.04022
Isodomedin
Isodomedin
ME720931
-
-
0.831
391.21331
(-)-Isopiperitenone
-
ME720907
-
-
0.834
209.11804
"Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropan...
-
ME720895
-
-
0.744
239.09254
Itaconic acid
Itaconic acid
ME720672
-
-
4.021
129.01833
L-(-)-Asparagine
Asparagine
ME720832
-
-
7.237
131.04523
L-Aspartic acid
Aspartic acid
ME720710
-
-
8.073
132.02916
L-Carnitinamide
-
ME720882
-
-
8.724
159.11312
L(+)-Citrulline;2-Amino-5-uredovalerate
-
ME720735
-
-
6.833
174.08775
L-Cystine
Cystine
ME720877
-
-
8.874
239.01659
leu-asp
Leu-Asp
ME720988
-
-
6.776
245.114305
Leucylasparagine
Leu-Asn
ME720954
-
-
5.967
244.1303533
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
L-gamma-Glutamyl-L-leucine
gamma-Glutamylleucine
ME720875
-
-
4.034
259.130125
L-Glutamic acid
Glutamic acid
ME720727
-
-
7.116
146.04485
L-Histidine
Histidine
ME720851
-
-
6.101
154.06134
L-Homocysteicacid
Homocysteic acid
ME720794
-
-
6.773
182.0123
L-Phenylalanine
Phenylalanine
ME720837
-
-
4.63
164.07093
"L-Serine, anhydride with 5′-adenylic acid (1:1)...
-
ME720714
-
-
4.699
433.0881
L-serine phosphoethanolamine
-
ME720784
-
-
8.128
227.04372
L-Threonicacid
Threonic acid
ME720754
-
-
4.054
135.02999
Lumacaftor
-
ME720702
-
-
4.718
451.11225
"LYSINOALANINE, (S,R)-"
-
ME720923
-
-
8.682
232.13027
Margaric acid
Margaric acid
ME720993
-
-
0.716
269.24895
Marimastat
-
ME720998
-
-
4.584
330.20394
mebutamate
-
ME720909
-
-
3.481
231.13494
MEIQX
-
ME720886
-
-
6.239
212.09478
Melonal
-
ME720951
-
-
0.71
279.23321
Mesaconic acid
Mesaconic acid
ME720676
-
-
1.485
129.01832
Methionylserine
Met-Ser
ME720975
-
-
5.748
235.07576
Methyl alpha-aspartylphenylalaninate
-
ME720980
-
-
6.437
293.11476
Methylsuccinic acid
Methylsuccinic acid
ME720674
-
-
1.633
131.03394
Metoxuran
-
ME720902
-
-
6.174
227.05902
met-thr
Met-Thr
ME720969
-
-
5.221
249.09153
met-tyr
Met-Tyr
ME720997
-
-
4.432
311.10753
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
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME720849
-
-
6.449
202.07175
N-(2-Amino-4-methylpentanoyl)glutamine
-
ME720965
-
-
5.847
258.14622
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME720893
-
-
3.814
229.1115633
"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
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-Aminohexanoyl)-6-aminohexanoate
-
ME720959
-
-
4.072
243.1714
N(6)-[(Indol-3-yl)acetyl]-L-lysine
N(6)-[(Indol-3-yl)acetyl]-lysine
ME720989
-
-
4.235
302.15139
N8ONU3L3PG
-
ME720905
-
-
0.9
224.1291
N-Acetyl-1-aspartylglutamic acid
N-Acetyl-Asp-Glu
ME720770
-
-
7.365
303.08373
N-Acetyl-4-O-acetylneuraminate
-
ME720683
-
-
7.016
350.10973
N-Acetyl-beta-D-galactosamine
-
ME720821
-
-
4.944
256.05952
N-Acetylcystathionine
N-Acetylcystathionine
ME720986
-
-
6.962
263.07101
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME720921
-
-
6.935
216.09872
N-Acetyl-L-histidine
N-Acetylhistidine
ME720752
-
-
6.101
196.07224
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME720814
-
-
0.698
206.08181
N-alpha-Acetylarginine
Pelargonidin
ME720944
-
-
6.301
215.11473
Neopterin
Neopterin
ME720812
-
-
5.098
252.07399
N-Formyl-L-aspartate
N-Formyl-aspartic acid
ME720828
-
-
6.72
160.02437
nialamide
-
ME720783
-
-
0.923
297.13462
Nicotianamine
(R,S,S)-Nicotianamine
ME720839
-
-
5.333
302.13612
NP-021698
-
ME720941
-
-
4.041
222.07699
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME720885
-
-
7.261
246.06199
N-Undecanoylglycine
N-Undecanoylglycine
ME720753
-
-
0.87
242.17615
Octahydrocoumarin
-
ME720834
-
-
0.78
153.0913
Octylaldehyde
-
ME720675
-
-
0.859
173.11768
Oleic acid-d17
Oleic acid
ME720966
-
-
0.712
298.35552
ophthalmic acid
Ophthalmic acid
ME720726
-
-
7.124
288.12044
Ovothiol A
-
ME720956
-
-
6.957
200.04957
Oxaloglutarate
2-Oxaloglutaric acid
ME720853
-
-
4.95
203.0194
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
PC4959775
-
ME720823
-
-
0.697
197.06032
phe-ile
Phe-Ile
ME720952
-
-
3.676
277.15603
pirenoxine
-
ME720908
-
-
5.238
307.03515
Primidolol
-
ME720970
-
-
3.484
332.16203
Pseudouridine
Pseudouridine
ME720760
-
-
4.658
243.062295
p-Toluenesulfonic acid
-
ME720835
-
-
0.757
171.01144
(-)-Quebrachitol
Pinitol
ME720774
-
-
3.044
193.07128
(R)-3-(4-Hydroxyphenyl)lactate
-
ME720869
-
-
4.347
181.04999
(R)-Malate
D-Malic acid
ME720718
-
-
4.016
133.0145
S-[(1Z)-N-Hydroxy-7-(methylsulfanyl)heptanimidoyl]...
-
ME720867
-
-
7.113
293.09945
Saccharopine
Saccharopine
ME720808
-
-
8.14
275.12528
Secnidazole
-
ME720730
-
-
5.52
184.0723
Sedoheptulose
Glucoheptulose
ME720773
-
-
6.506
269.08806
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
[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
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME720734
-
-
6.686
214.04825
Streptamine 4-phosphate
Streptamine 4-phosphate
ME720910
-
-
6.762
257.05462
Tauropine
Tauropine
ME720717
-
-
3.85
196.02806
Threonylleucine
Thr-Leu
ME720982
-
-
5.153
231.13495
threonylphenylalanine
Thr-Phe
ME720985
-
-
4.601
265.11962
tolfamide
-
ME720889
-
-
6.424
194.04858
trans-Petroselinic acid
-
ME720862
-
-
0.71
281.2489
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
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
Uridine 5'-diphosphogalactose
UDP-galactose
ME720749
-
-
7.591
565.04842
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
Xylenesulfonate
-
ME720939
-
-
0.739
185.02715
Xylitol
Xylitol
ME720775
-
-
5.093
151.06034
Zalcitabine
Zalcitabine
ME720802
-
-
5.575
210.0880925
Zonisamide
Zonisamide
ME720796
-
-
0.553
211.01796
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel