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Name
Formula / Structure
ExactMass
ID
4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide
6 spectra
C14H16N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.08310
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU097451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU097452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU097453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU097454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU097455
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU097456
4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-tr...
6 spectra
C7H12N4OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.07320
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU078651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU078652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU078653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU078654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU078655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU078656
4-Aminoazobenzene
6 spectra
C12H11N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
197.09531
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU131301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU131302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU131303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU131304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU131305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU131306
4-Aminobenzamide
6 spectra
C7H8N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.06371
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU091201
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU091202
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU091203
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU091204
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU091205
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU091206
4-Androstene-3,17-dione
5 spectra
C19H26O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.19330
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU039601
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU039602
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU039603
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU039604
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU039605
4-Chlorobenzoic acid
6 spectra
C7H5ClO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.99780
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU043151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU043152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU043153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU043154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU043155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU043156
4-Chlorophenoxyacetic acid
6 spectra
C8H7ClO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.00841
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU119151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU119152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU119153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU119154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU119155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU119156
4-Chlorophenylurea
4 spectra
C7H7ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.02470
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU129801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU129802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU129803
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU129805
4-Cyanobenzoic acid
5 spectra
C8H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.03200
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU104051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU104052
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU104053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU104054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU104055
4-Ethoxy-4-oxobut-2-enoic acid
6 spectra
C6H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.04230
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU024151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU024152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU024153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU024154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU024155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU024156
4-Hexylaniline
6 spectra
C12H19N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.15170
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU062101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU062102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU062103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU062104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU062105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU062106
4-Hexyloxyaniline
6 spectra
C12H19NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
193.14670
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU057401
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU057402
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU057403
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU057404
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU057405
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU057406
4-Hydroxy-3-nitrophenylarsonic acid
6 spectra
C6H6AsNO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
262.94110
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU042251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU042252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU042253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU042254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU042255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU042256
4-Hydroxyacetophenone
6 spectra
C8H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.05240
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU021451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU021452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU021453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU021454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU021455
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU021456
4-Methoxyaniline
12 spectra
C7H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
123.06840
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU014601
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU020101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU014602
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU020102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU014603
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU020103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU014604
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU020104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU014605
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU020105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU014606
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU020106
4-Methylphthalic anhydride
5 spectra
C9H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.03169
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU019401
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU019402
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU019403
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU019405
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU019406
4-Methylumbelliferone
12 spectra
C10H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.04730
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU020701
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU096701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU020702
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU096702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU020703
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU096703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU020704
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU096704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU020705
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU096705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU020706
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU096706
4-Nitro-N-phenylaniline
6 spectra
C12H10N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.07420
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU039951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU039952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU039953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU039954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU039955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU039956
4-Nitroanthranilic acid
6 spectra
C7H6N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.03281
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU039451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU039452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU039453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU039454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU039455
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU039456
4-Nitrobenzoic acid
6 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02190
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU124751
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU124752
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU124753
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU124754
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU124755
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU124756
4-nitrophenol
6 spectra
C6H5NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.02690
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU098251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU098252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU098253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU098254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU098255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU098256
4-Nitrosodiphenylamine
12 spectra
C12H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.07930
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU079801
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU079851
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU079802
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU079852
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU079803
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU079853
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU079804
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU079854
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU079805
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU079855
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU079806
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU079856
4-Octylphenol
6 spectra
C14H22O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.16710
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU093851
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU093852
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU093853
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU093854
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU093855
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU093856
4-Pentylaniline
6 spectra
C11H17N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.13609
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU046801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU046802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU046803
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU046804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU046805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU046806
4-Phenoxyphenol
6 spectra
C12H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.06810
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU018051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU018052
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU018053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU018054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU018055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU018056
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NORMAN Association
; 2021
MassBank Consortium
Responsible:
Dr. Tobias Schulze