Log in
/
Register
Home
Overview
Upload / Manage Data
Browse / Search Studies
Analyze Studies
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 ST000291 main page
Show: (1)
HMDB and KEGG pathways
(2)
REACTOME pathways
containing these metabolites
Select
Metabolite Name
Metabolite Id
Refmet Name
Ret. Index
Quant. m/z
Analysis Display
2,2-Bis(4'-chlorophenyl)ethanol
ME105944
2,2-bis(4-Chlorophenyl)ethanol
1.05
265.0199
ESI Negative mode
2-Hydroxyfelbamate
ME105966
2-Hydroxyfelbamate
6.98
253.0827
ESI Negative mode
3-Sulfocatechol
ME106005
3-Sulfocatechol
7.21
188.9855
ESI Negative mode
3-tert-Butyl-5-methylcatechol
ME106007
3-tert-Butyl-5-methylcatechol
10.14
179.1069
ESI Negative mode
5-Sulfosalicylate_1
ME106049
5-Sulfosalicylic acid
7.53
216.9807
ESI Negative mode
5-Sulfosalicylate_2
ME106050
5-Sulfosalicylic acid
8
216.9807
ESI Negative mode
Anastrozole
ME106100
Anastrozole
9.85
292.1556
ESI Negative mode
Chlorphentermine
ME106168
Chlorphentermine
0.77
182.0743
ESI Negative mode
Croconazole
ME106193
Croconazole
8.16
309.0807
ESI Negative mode
Hexaflumuron
ME106336
Hexaflumuron
8.75
458.9738
ESI Negative mode
Isofenphos
ME106349
Isofenphos
2.7
344.1094
ESI Negative mode
Mallotophenone
ME106386
Mallotophenone
10.23
403.1394
ESI Negative mode
Neostigmine bromide_1
ME106437
Neostigmine bromide
6.72
301.0561
ESI Negative mode
Neostigmine bromide_2
ME106438
Neostigmine bromide
2.48
301.0561
ESI Negative mode
Neostigmine bromide_3
ME106439
Neostigmine bromide
6.03
301.0561
ESI Negative mode
Pendimethalin
ME106468
Pendimethalin
6.47
280.1304
ESI Negative mode
p,p'-Methoxychlor olefin
ME106461
Methoxychlor olefin
7.71
307.0294
ESI Negative mode
Proparacaine
ME106500
Proparacaine
9.78
293.1873
ESI Negative mode
Pyridaben
ME106508
Pyridaben
8.55
363.1297
ESI Negative mode
Rhododendrin_1
ME106525
Rhododendrin
9.88
327.1452
ESI Negative mode
Rhododendrin_2
ME106526
Rhododendrin
9.88
327.1452
ESI Negative mode
Sulochrin
ME106578
Sulochrin
6.41
331.0837
ESI Negative mode
Tolcapone_1
ME106606
Tolcapone
1.18
272.0566
ESI Negative mode
Tolcapone_2
ME106607
Tolcapone
1.16
272.0572
ESI Negative mode
Tramadol
ME106608
Tramadol
10.3
262.1811
ESI Negative mode
Triflumuron
ME106621
Triflumuron
1.59
357.0249
ESI Negative mode
2,3,5-Trihydroxytoluene
ME104238
2,3,5-Trihydroxytoluene
7.34
141.0547
ESI Positive mode
2,4,6-Trihydroxybenzophenone
ME104249
2,4,6-Trihydroxybenzophenone
4.5
231.0654
ESI Positive mode
2,4-Dinitrotoluene
ME104255
2,4-Dinitrotoluene
6.14
183.0402
ESI Positive mode
2-Aminobenzenesulfonate
ME104280
2-Aminobenzenesulfonic acid
7.15
174.0221
ESI Positive mode
2-Hydroxyfelbamate_1
ME104303
2-Hydroxyfelbamate
6.97
255.0976
ESI Positive mode
2-Hydroxyfelbamate_2
ME104304
2-Hydroxyfelbamate
1.22
255.0975
ESI Positive mode
3,5-Dichloro-4-hydroxyphenylpyruvate
ME104359
3,5-Dichloro-4-hydroxyphenylpyruvate
6.14
248.9715
ESI Positive mode
3-(Dimethylamino)propyl benzoate
ME104347
3-(Dimethylamino)propyl benzoate
7.18
208.1332
ESI Positive mode
3-Hydroxyanthranilate
ME104385
3-Hydroxyanthranilic acid
5.45
154.05
ESI Positive mode
3-Isopropylcatechol
ME104392
3-Isopropylcatechol
7.51
153.0912
ESI Positive mode
3-Methoxybenzyl alcohol_1
ME104394
3-Methoxybenzyl alcohol
6.17
139.0755
ESI Positive mode
3-Methoxybenzyl alcohol_2
ME104395
3-Methoxybenzyl alcohol
2.03
139.0755
ESI Positive mode
3-Methoxybenzyl alcohol_3
ME104396
3-Methoxybenzyl alcohol
7.27
139.0755
ESI Positive mode
3-Methoxybenzyl alcohol_4
ME104397
3-Methoxybenzyl alcohol
5.08
139.0755
ESI Positive mode
3-Sulfocatechol
ME104418
3-Sulfocatechol
1.73
191.0008
ESI Positive mode
4-Bromophenylthiourea_1
ME104447
4-Bromophenylthiourea
2.77
230.9585
ESI Positive mode
4-Bromophenylthiourea_2
ME104448
4-Bromophenylthiourea
1.42
230.9585
ESI Positive mode
4-(Hydroxylamino)-N,N-dimethylaniline
ME104427
4-(Hydroxylamino)-N,N-dimethylaniline
1.84
153.1024
ESI Positive mode
4-Hydroxymandelonitrile
ME104473
4-Hydroxymandelonitrile
6.1
150.0551
ESI Positive mode
4-Hydroxymethylphenylhydrazine
ME104474
4-(Hydroxymethyl)phenylhydrazine
1.03
139.0867
ESI Positive mode
4-Propylphenol_1
ME104500
4-Propylphenol
8.63
137.0962
ESI Positive mode
4-Propylphenol_2
ME104501
4-Propylphenol
9.7
137.0962
ESI Positive mode
5-Nitro-ortho-anisidine_1
ME104560
2-Methoxy-5-nitroaniline
0.88
169.0604
ESI Positive mode
5-Nitro-ortho-anisidine_2
ME104561
2-Methoxy-5-nitroaniline
2.74
169.0608
ESI Positive mode
5-Nitro-ortho-anisidine_3
ME104562
2-Methoxy-5-nitroaniline
6.64
169.0608
ESI Positive mode
5-Nitro-ortho-anisidine_4
ME104563
2-Methoxy-5-nitroaniline
1.91
169.0605
ESI Positive mode
5-Nitro-ortho-anisidine_5
ME104564
2-Methoxy-5-nitroaniline
4.85
169.0609
ESI Positive mode
5-Sulfosalicylate_1
ME104568
5-Sulfosalicylic acid
4.24
218.9952
ESI Positive mode
5-Sulfosalicylate_2
ME104569
5-Sulfosalicylic acid
5.53
218.9951
ESI Positive mode
Amphetamine
ME104670
Dextroamphetamine
7.82
136.1122
ESI Positive mode
Anastrozole
ME104671
Anastrozole
9.77
294.17
ESI Positive mode
Anthranilate
ME104680
2-Aminobenzoic acid
0.97
138.0552
ESI Positive mode
Benzene_1
ME104720
Benzene
8.19
79.055
ESI Positive mode
Benzene_2
ME104721
Benzene
1.15
79.055
ESI Positive mode
Bisphenol B
ME104753
Bisphenol B
15.54
243.1382
ESI Positive mode
Bz-Arg-OEt
ME104783
Bz-Arg-OEt
9.78
307.1756
ESI Positive mode
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
ME104832
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
10.11
189.091
ESI Positive mode
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
ME104833
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
7.92
189.0911
ESI Positive mode
Cumene_1
ME104882
Isopropylbenzene
10.89
121.1016
ESI Positive mode
Cumene_2
ME104883
Isopropylbenzene
9.17
121.1016
ESI Positive mode
Cumene_3
ME104884
Isopropylbenzene
0.81
121.1006
ESI Positive mode
Cumene_4
ME104885
Isopropylbenzene
15.54
121.1015
ESI Positive mode
Dibenzylsuccinate
ME104962
Dibenzyl succinate
9.76
299.128
ESI Positive mode
Diphenhydramine_1
ME105005
Diphenhydramine
9.71
256.1694
ESI Positive mode
Diphenhydramine_2
ME105006
Diphenhydramine
10.89
256.1695
ESI Positive mode
Ephedrine
ME105037
Ephedrine
6.74
166.1227
ESI Positive mode
Ethiofencarb
ME105045
Ethiofencarb
8.26
226.0895
ESI Positive mode
Glyburide
ME105128
Glyburide
6.48
494.1519
ESI Positive mode
Isofenphos
ME105213
Isofenphos
2.68
346.1243
ESI Positive mode
Maclurin
ME105313
Maclurin
4.24
263.055
ESI Positive mode
Mallotophenone
ME105315
Mallotophenone
9.51
405.1542
ESI Positive mode
m-Chlorophenylpiperazine
ME105317
Mono-(3-carboxypropyl) phthalate
2.27
197.0844
ESI Positive mode
Methamphetamine
ME105333
Methamphetamine
7.84
150.1278
ESI Positive mode
Monuron
ME105360
Monuron
1.66
199.0636
ESI Positive mode
Neostigmine bromide
ME105453
Neostigmine bromide
6.72
303.071
ESI Positive mode
Nitramine
ME105486
N-Methyl-N-picrylnitramine
7.02
170.1541
ESI Positive mode
(+)-Norephedrine_1
ME104134
Phenylpropanolamine
6.42
152.1071
ESI Positive mode
(+)-Norephedrine_2
ME104135
Phenylpropanolamine
7.45
152.1071
ESI Positive mode
Oryzalin
ME105538
Oryzalin
6.84
174.0551
ESI Positive mode
Pendimethalin
ME105565
Pendimethalin
6.46
282.1446
ESI Positive mode
Phenolphthalin
ME105584
Phenolphthalin
9.68
161.0599
ESI Positive mode
Phenylethyl alcohol_1
ME105595
2-Phenylethanol
6.87
123.0808
ESI Positive mode
Phenylethyl alcohol_2
ME105596
2-Phenylethanol
8.87
123.0808
ESI Positive mode
Phenylethyl alcohol_3
ME105597
2-Phenylethanol
1.5
123.0796
ESI Positive mode
Pimozide
ME105621
Pimozide
9.04
462.2333
ESI Positive mode
Propofol
ME105649
Propofol
10.1
179.1431
ESI Positive mode
Prosulfuron
ME105654
Prosulfuron
9.62
210.5521
ESI Positive mode
p-Xylene_1
ME105664
p-Xylene
8.28
107.0861
ESI Positive mode
p-Xylene_2
ME105665
p-Xylene
9.19
107.0861
ESI Positive mode
p-Xylene_3
ME105666
p-Xylene
3.12
107.086
ESI Positive mode
Rhododendrin
ME105693
Rhododendrin
9.14
329.1592
ESI Positive mode
Robustaol A
ME105699
Robustaol A
10.24
475.1942
ESI Positive mode
Tetralin_1
ME105786
Tetralin
8.9
133.1014
ESI Positive mode
Tetralin_2
ME105787
Tetralin
7.69
133.1015
ESI Positive mode
Tetralin_3
ME105788
Tetralin
10.1
133.1014
ESI Positive mode
Tetralin_4
ME105789
Tetralin
11.11
133.1014
ESI Positive mode
Thiamphenicol
ME105794
Thiamphenicol
8.24
356.0106
ESI Positive mode
Tioconazole
ME105807
Tioconazole
3.41
386.9875
ESI Positive mode
Toluene_1
ME105809
Toluene
9.09
93.0705
ESI Positive mode
Toluene_2
ME105810
Toluene
7.96
93.0705
ESI Positive mode
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel