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Name
Formula / Structure
ExactMass
ID
4-tert-Butylcatechol
6 spectra
C10H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.09940
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU129051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU129052
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU129053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU129054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU129055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU129056
4`-Fluoro-4-aminodiphenyl
2 spectra
C12H10FN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.07970
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU101201
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU101206
4`-Sulfamylacetanilide
12 spectra
C8H10N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.04120
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU086601
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU086651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU086602
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU086652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU086603
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU086653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU086604
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU086654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU086605
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU086655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU086606
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU086656
5,5-Dimethylbarbituric acid
6 spectra
C6H8N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.05350
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU024951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU024952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU024953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU024954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU024955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU024956
5,6-Benzoflavone
6 spectra
C19H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.08371
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU117901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU117902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU117903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU117904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU117905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU117906
5,7-Dimethoxy-2H-chromen-2-one
6 spectra
C11H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.05791
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU107701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU107702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU107703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU107704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU107705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU107706
5-Chlorobenzotriazole
8 spectra
C6H4ClN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.00940
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU048151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU048152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU048153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU048154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU048105
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU048155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU048106
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU048156
5-Chlorosalicylanilide
6 spectra
C13H10ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.03999
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU137151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU137152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU137153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU137154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU137155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU137156
5-Methoxypsoralen
5 spectra
C12H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.04230
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU106801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU106802
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU106804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU106805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU106806
5-Nitroisophthalic acid
6 spectra
C8H5NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.01170
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU067851
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU067852
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU067853
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU067854
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU067855
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU067856
5-Phenyl-1H-tetrazole
6 spectra
C7H6N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.05920
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU077251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU077252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU077253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU077254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU077255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU077256
5HPP-33
12 spectra
C20H21NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.15210
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU024201
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU024251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU024202
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU024252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU024203
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU024253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU024204
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU024254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU024205
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU024255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU024206
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU024256
6-Acetyl-1,1,2,4,4,7-hexamethyltetralin
6 spectra
C18H26O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.19839
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU067901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU067902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU067903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU067904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU067905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU067906
6-Chloro-2,3-dihydrobenzoxazol-2-one
6 spectra
C7H4ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.99310
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU025951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU025952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU025953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU025954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU025955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU025956
6-Chloro-2-picolinic acid
5 spectra
C6H4ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.99310
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU067351
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU067352
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU067353
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU067354
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU067355
6-Chlorothymol
6 spectra
C10H13ClO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.06551
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU083351
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU083352
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU083353
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU083354
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU083355
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU083356
6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoli...
6 spectra
C14H21NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.16229
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU131901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU131902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU131903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU131904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU131905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU131906
6-Hydroxy-2-naphthyl disulfide
6 spectra
C20H14O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
350.04349
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU037051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU037052
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU037053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU037054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU037055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU037056
6-hydroxynaphthalene-2-sulfonate
6 spectra
C10H8O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.01430
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU133151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU133152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU133153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU133154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU133155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU133156
6-Methyl-2-thiouracil
6 spectra
C5H6N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.02010
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU123551
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU123552
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU123553
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU123554
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU123555
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU123556
6-Nitrobenzimidazole
12 spectra
C7H5N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.03819
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU092201
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU092251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU092202
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU092252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU092203
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU092253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU092204
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU092254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU092205
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU092255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU092206
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU092256
6-Pentyl-2H-pyran-2-one
6 spectra
C10H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.09940
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU079501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU079502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU079503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU079504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU079505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU079506
6-Phenyl-1,3,5-triazine-2,4-diamine
6 spectra
C9H9N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.08580
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU106301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU106302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU106303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU106304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU106305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU106306
6-Propyl-2-thiouracil
6 spectra
C7H10N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.05141
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU032451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU032452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU032453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU032454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU032455
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU032456
6-Thioguanine
12 spectra
C5H5N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02660
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU064001
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU064051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU064002
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU064052
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU064003
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU064053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU064004
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU064054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU064005
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU064055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU064006
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU064056
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