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Name
Formula / Structure
ExactMass
ID
3-Butyl-1-methyl-1H-imidazol-3-ium
3 spectra
[C8H15N2]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.12352
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001933
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001932
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001931
3-Chloro-7-hydroxy-4-methyl-2-benzopyrone
6 spectra
C10H7ClO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.00838
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001435
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001438
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001437
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001439
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001436
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001434
3-Dimethylaminophenol
2 spectra
C8H11NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.08406
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001623
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001622
3-Hydroxy-2-naphthoic o-anisidide
6 spectra
C18H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
293.10519
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001321
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001318
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001319
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001322
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001323
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001320
3-Hydroxy-2-pyridone
3 spectra
C5H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.03203
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001302
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001301
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001303
3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxami...
6 spectra
C17H12N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.07971
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001201
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001202
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001199
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001200
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001203
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001204
3-Hydroxypyridine-2-methanol
6 spectra
C6H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.04768
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001098
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001097
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001095
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001099
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001100
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001096
3-Methoxy-5-methylphenol
2 spectra
C8H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.06808
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001978
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001977
3-Methoxypropylamine
3 spectra
C4H11NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.08406
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000269
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000268
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000270
3-Methyl-1-phenyl-1H-pyrazol-5-amine
3 spectra
C10H11N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.09529
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000453
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000452
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000451
3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
3 spectra
C9H11NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.08406
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002298
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002296
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002297
3-Methyl-4-(methylthio)phenol
2 spectra
C8H10OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.04524
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001390
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001389
3-Methyl-5-pyrazolone
3 spectra
C4H6N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
98.04801
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000397
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000399
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000398
3-Nitrobenzoic acid
3 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02185
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002451
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002450
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002452
3-Phenoxybenzoic acid
3 spectra
C13H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.06299
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000463
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000465
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000464
3-Pyridinamine
3 spectra
C5H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
94.05310
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001691
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001690
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001692
3-tert-Butylphenol
3 spectra
C10H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.10446
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002139
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002138
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002137
3-Thiatetradecanoic acid
3 spectra
C13H26O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.16534
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000708
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000707
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000706
3-{[3-(Dimethylamino)propyl]amino}propanenitrile
3 spectra
C8H17N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.14224
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000220
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000221
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000222
4',5'-Dibromofluorescein
6 spectra
C20H10Br2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
487.88950
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001856
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001859
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001854
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001858
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001855
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001857
4'-Chloro-2',5'-dimethoxyacetoacetanilide
6 spectra
C12H14ClNO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.06113
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001067
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001069
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001070
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001066
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001068
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001071
4'-Chloroacetoacetanilide
3 spectra
C10H10ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.04001
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000726
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000725
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000724
4,4',4''-Ethane-1,1,1-triyltriphenol
3 spectra
C20H18O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
306.12558
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001794
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001796
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001795
4,4'-(2,2-Dioxido-3H-1,2-benzoxathiole-3,3-diyl)bi...
3 spectra
C21H14Br4O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
693.72955
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000894
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000892
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000893
4,4'-(4-Methylpentane-2,2-diyl)diphenol
3 spectra
C18H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.16199
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000738
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000737
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000736
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