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Name
Formula / Structure
ExactMass
ID
(Benzothiazol-2-ylthio)methyl thiocyanate
9 spectra
C9H6N2S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
237.96931
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA098601AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA098603B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA098605070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA098611C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA098613D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0986155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0986213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0986237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA098625AF82PH
1,2-Benzisothiazolinone
3 spectra
C7H5NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.00919
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0200213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0200237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA020025AF82PH
1,3-diaminopyrene
1 spectrum
C16H12N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.10001
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002603
1,3-Dimethyl-2-imidazolidinone
9 spectra
C5H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.07932
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA307701AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA307703B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA307705070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA307711C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA307713D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA3077155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA3077213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA3077237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA307725AF82PH
1,3-dinitrobenzene
1 spectrum
C6H4N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.01711
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA003905
1,4-Chrysenequinone
3 spectra
C18H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.06812
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002103
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA002105
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002101
1,4-naphthalene-dione
2 spectra
C10H6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.03680
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA001803
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA001805
1,5-dihydroxyanthraquinone
2 spectra
C14H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.04230
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002303
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002301
1,8-diaminopyrene
2 spectra
C16H12N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.10001
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002703
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002701
1,8-dinitropyrene
2 spectra
C16H8N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
292.04840
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA003503
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA003505
1-chloro-2,4-dinitrobenzene
1 spectrum
C6H3ClN2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.97810
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA004105
1-Hydroxyanthraquinone
4 spectra
C14H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.04730
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002503
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA002505
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002501
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA002502
1-hydroxypyrene
3 spectra
C16H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.07320
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA004403
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA004401
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA004402
1-naphthalenecarboxaldehyde, 2-hydroxy
2 spectra
C11H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.05240
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA001303
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA001304
1-Naphthol
3 spectra
C10H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.05750
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA004603
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA004604
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA004601
1-Naphthylamine
9 spectra
C10H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
143.07350
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA132101AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA132103B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA132105070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA132111C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA132113D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA1321155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA1321213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA1321237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA132125AF82PH
1-nitropyrene
2 spectra
C16H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.06329
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA003403
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA003405
10,11-Dihydro-10,11-dihydroxycarbamazepine
4 spectra
C15H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.10040
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF410903
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF410901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF410904
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF410902
10,11-Dihydro-10-hydroxycarbamazepine
9 spectra
C15H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.10553
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA047101AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA047103B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA047105070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA047111C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA047113D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0471155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0471213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0471237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA047125AF82PH
11-Ketotestosterone
9 spectra
C19H26O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.18820
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA280901AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA280903B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA280905070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA280911C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA280913D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2809155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA2809213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA2809237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA280925AF82PH
17alpha-Hydroxyprogesterone
3 spectra
C21H30O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
330.21948
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA281011C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA281013D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2810155BE0PH
1H-Benzotriazole
4 spectra
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04830
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF417703
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF417701
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF417704
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF417702
1H-Isoindole-1,3(2H)-dione
3 spectra
C8H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.03200
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA002004
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002001
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA002002
2(4-morpholinyl)benzothiazole
6 spectra
C11H12N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.06703
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA243201AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA243203B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA243205070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA243211C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA243213D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2432155BE0PH
2,3-Phenazinediamine
1 spectrum
C12H10N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.09050
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
MSBNK-UFZ-UA005801
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