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Compound Name:
0-9
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21,941 Hit.
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Name
Formula / Structure
ExactMass
ID
8-BROMO-2-METHYL-5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-1...
1 spectrum
C20H22BrN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
383.09970
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006636
8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]-diazep...
3 spectra
C13H9ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.04030
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW109303
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW109302
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW109304
8-CHLOROTHEOPHYLLINE
1 spectrum
C7H7ClN4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.02600
ESI-QTOF; MS2; CE 30 eV; [M]-
MSBNK-UPAO-UPA00023
8-Chlorotheophylline
5 spectra
C7H7ClN4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.02576
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001670
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001669
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001668
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001667
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001666
8-Chlro-1-tetrahydronorharmanone
8 spectra
C11H9ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.04034
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80637
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01805
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01835
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01815
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01845
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01825
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80636
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80635
8-ETHYL-4,6,6,8-TETRAMETHYL-3,4,6,7-TETRAHYDRO-1H-...
1 spectrum
C18H26O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.19836
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010147
8-ETHYLQUINOLINE
1 spectrum
C11H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
157.08916
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007817
8-Geranyloxy psoralen
4 spectra
C21H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.15179
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80642
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01477
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01492
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80640
8-HDoHE
6 spectra
C22H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.23514
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000016
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000017
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000018
LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000448
LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000449
LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000450
8-HEPE
9 spectra
C20H30O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
318.21948
LC-ESI-QIT; MS2; CE:10 V; [M-H]-
MSBNK-Chubu_Univ-UT000208
LC-ESI-QIT; MS2; CE:15 V; [M-H]-
MSBNK-Chubu_Univ-UT000209
LC-ESI-QIT; MS2; CE:20 V; [M-H]-
MSBNK-Chubu_Univ-UT000210
LC-ESI-QIT; MS2; CE:25 V; [M-H]-
MSBNK-Chubu_Univ-UT000211
LC-ESI-QIT; MS2; CE:30 V; [M-H]-
MSBNK-Chubu_Univ-UT000212
LC-ESI-QIT; MS2; CE:35 V; [M-H]-
MSBNK-Chubu_Univ-UT000213
LC-ESI-QIT; MS2; CE:40 V; [M-H]-
MSBNK-Chubu_Univ-UT000214
LC-ESI-QIT; MS2; CE:45 V; [M-H]-
MSBNK-Chubu_Univ-UT000215
LC-ESI-QIT; MS2; CE:50 V; [M-H]-
MSBNK-Chubu_Univ-UT000216
8-HETE
6 spectra
C20H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
320.23514
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000004
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000005
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000006
LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000469
LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000470
LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000471
8-hydroxy Mirtazapine
5 spectra
C17H19N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.15280
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155505
8-Hydroxy Mirtazapine
9 spectra
C17H19N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.15280
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ371207
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ371208
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ371201
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ371209
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ371202
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ371203
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ371204
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ371205
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ371206
8-Hydroxy-13,14,15,16-tetranor-12-labdanoic acid
4 spectra
C16H28O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.39981
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00251
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00250
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00249
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00252
8-HYDROXY-2-CHLOROPROMAZINE
1 spectrum
C17H19ClN2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
334.09067
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003828
8-hydroxy-2-oxo-1(10),3-guaiadiene-12,6-olide, Ac
4 spectra
C17H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.34601
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03147
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03146
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03145
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03148
8-HYDROXY-3,7-DIMETHYL-2,6-OCTADIENEYL ACETATE(Z)
1 spectrum
C12H20O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.14124
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009885
8-HYDROXY-3,7-DIMETHYL-2,6-OCTADIENYL ACETATE(E)
1 spectrum
C12H20O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.14124
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009886
8-HYDROXY-4-TRIDECEN-6-ONE
1 spectrum
C13H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.17763
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010199
8-Hydroxy-5-methoxyflavanone
3 spectra
C16H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.08920
LC-ESI-QTOF; MS
MSBNK-BS-BS003591
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003589
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003590
8-Hydroxyamoxapine
5 spectra
C17H16ClN3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.09311
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002128
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002127
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002126
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002125
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002124
8-Hydroxyloxapine
5 spectra
C18H18ClN3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
343.10876
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002143
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002142
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002141
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002140
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002139
8-Hydroxyoctanoic acid
5 spectra
C8H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.10994
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001037
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001038
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001039
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001040
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001041
8-HYDROXYQUINOLINE
2 spectra
C9H7NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.05276
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005705
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010343
8-Hydroxyquinoline
3 spectra
C9H7NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.05280
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU099402
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU099404
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU099405
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