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Name
Formula / Structure
ExactMass
ID
((((((propane-2,2-diylbis(4,1-phenylene))bis(oxy))...
3 spectra
C35H48O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
628.32471
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN122237
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN122238
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN122239
((2R,5R)-5-Allyltetrahydrofuran-2-yl)methanol
2 spectra
C8H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.09938
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ02072
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ02073
((2S,5S)-5-Allyltetrahydrofuran-2-yl)methanol
2 spectra
C8H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.09938
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02076
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02077
((3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(...
1 spectrum
C36H66S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
530.48853
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02102
((pentylthio)methyl)diphenylsilane
1 spectrum
C18H24SSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.13681
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02119
((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(...
3 spectra
C47H72O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
892.48199
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN122846
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN122847
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN122848
((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(...
3 spectra
C43H64O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
804.42963
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN122637
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN122638
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN122639
((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(...
3 spectra
C29H36O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
480.25119
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN123137
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN123138
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-AN123139
(+)-(4,6-O-Benzylidene)methyl-alpha-D-glucopyranos...
3 spectra
C14H18O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.11035
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80032
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80031
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80030
(+)-17-METHYLTESTOSTERONE
1 spectrum
C20H30O2
302.22458
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011930
(+)-ALPHA-CYPERONE
1 spectrum
C15H22O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.16707
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010692
(+)-ALPHA-MUUROLENE
1 spectrum
C15H24
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.18781
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010693
(+)-ALPHA-PHENYLETHYLAMINE
1 spectrum
C8H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
121.08915
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002240
(+)-beta-Hydrastine
5 spectra
C21H21NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
383.40460
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01566
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01567
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01568
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01565
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000107
(+)-Bicuculline
5 spectra
C20H17NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
367.10559
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80037
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00743
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00750
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00757
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80035
(+)-CAMPHOR
1 spectrum
C10H16O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.12012
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002241
(+)-Catechin
2 spectra
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.07904
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100262
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100687
(+)-Chelidonine
46 spectra
C20H19NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
353.12631
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002275
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003422
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003423
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002276
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002277
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002278
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002279
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002672
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002673
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002674
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002675
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002676
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003054
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003055
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003056
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003057
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003058
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003419
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003420
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003421
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300878
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300882
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300886
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300890
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300894
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300897
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300901
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300905
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300909
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300913
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300917
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300920
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301778
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301780
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301783
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301786
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301789
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301791
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301794
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301797
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301803
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301806
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301809
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310604
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310605
(+)-CINCHONINE
1 spectrum
C19H22N2O
294.17322
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011634
(+)-Cinchonine
3 spectra
C19H22N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.17300
LC-ESI-QTOF; MS2; CE 10 ev; [M]+
MSBNK-Washington_State_Univ-BML00067
LC-ESI-QTOF; MS2; CE 20 ev; [M]+
MSBNK-Washington_State_Univ-BML00074
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80040
(+)-Corydaline
13 spectra
C22H27NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
369.46100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301091
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301095
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301099
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301103
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301107
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301111
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301115
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301119
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301123
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301127
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301131
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301135
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310625
(+)-Costunolide
20 spectra
C15H20O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.14630
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002319
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003462
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003463
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002320
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002321
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002322
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002323
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002714
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002715
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002716
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002717
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002718
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003094
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003095
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003096
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003097
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003098
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003459
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003460
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003461
(+)-delta-Tocopherol
1 spectrum
C27H46O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
402.34979
EI-EBEB; MS; POS
MSBNK-Kyoto_Univ-CA000174
(+)-delta-Tocopherol, 8-methyltocol, Vitamin E
3 spectra
C27H46O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
402.66299
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073902
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073903
(+)-DIACETYL-L-TARTARIC ACID
1 spectrum
C8H10O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
234.03757
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011331
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