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Name
Formula / Structure
ExactMass
ID
SB236057A
9 spectra
C33H34N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
534.26306
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000019
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000021
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000020
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU062901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU062902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU062903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU062904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU062905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU062906
SB243213A
9 spectra
C22H19F3N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.14600
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001706
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001710
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001707
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU063001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU063002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU063003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU063004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU063005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU063006
SB281832
6 spectra
C22H19FN4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
406.14410
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU034101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU034102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU034103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU034104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU034105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU034106
SB413217A
9 spectra
C30H35FN4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
502.27441
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000954
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000953
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000952
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU014301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU014302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU014303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU014304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU014305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU014306
Schisandrin
12 spectra
C24H32O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.51300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304027
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304028
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304029
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304030
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304031
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304032
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304033
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304034
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304035
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304036
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304037
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304038
Schizandrin
14 spectra
C24H32O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.21481
LC-ESI-ITTOF; MS; [M+NH3+H]+
MSBNK-Univ_Toyama-TY000073
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303843
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303847
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303851
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303855
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303859
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303863
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303867
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303871
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303875
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303879
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303883
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303887
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310434
SCLAREOL
1 spectrum
C20H36O2
308.27151
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010672
Sclareol
3 spectra
C20H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.27151
LC-ESI-QTOF; MS2; CE 10 ev; [M+Na]+
MSBNK-Washington_State_Univ-BML00408
LC-ESI-QTOF; MS2; CE 20 ev; [M+Na]+
MSBNK-Washington_State_Univ-BML00422
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82145
Scleroderolide
5 spectra
C18H16O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.09467
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000671
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000672
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000673
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000674
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000675
Sclerotinin C
1 spectrum
C12H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.08920
EI-B; MS
MSBNK-Tottori_Univ-TT000129
Scopadonnine
1 spectrum
C34H38N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.69177
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000056
Scoparin
1 spectrum
C22H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
462.11621
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000252
Scoparone
10 spectra
C11H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.19701
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303601
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303602
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303603
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303604
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303605
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303606
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303607
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303608
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311074
SCOPOLAMINE
1 spectrum
C17H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.14706
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003184
Scopolamine
28 spectra
C17H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.14706
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82472
LC-ESI-IT; MS2; m/z: 304; [M+H]+
MSBNK-Keio_Univ-KO009233
LC-ESI-IT; MS3; m/z: 304/110; [M+H]+
MSBNK-Keio_Univ-KO009236
LC-ESI-IT; MS3; m/z: 304/138; [M+H]+
MSBNK-Keio_Univ-KO009235
LC-ESI-IT; MS3; m/z: 304/156; [M+H]+
MSBNK-Keio_Univ-KO009234
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000071
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002406
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002405
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002404
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002403
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002402
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU114901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU114902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU114903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU114904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU114905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU114906
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004012
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004013
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004014
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004015
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004016
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00066
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00067
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00068
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00065
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000048
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82470
Scopolamine-N-butyl
6 spectra
[C21H30NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
360.21747
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU251501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU251502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU251503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU251504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU251505
LC-ESI-QTOF; MS2; CE: Ramp 22.8-34.2 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU251506
Scopoletin
12 spectra
C10H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.04225
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82152
LC-ESI-QQ; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB002203
LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
MSBNK-IPB_Halle-PB002204
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00948
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00949
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00950
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00951
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00952
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00349
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00359
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100472
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82150
Scopoletin, 7-hydroxy-6-methoxychromen-2-one, Esco...
1 spectrum
C10H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.17000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT112480
Scopoletin, Escopoletin, Methylesculetin, Scopolet...
3 spectra
C10H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.17000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS124801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS124802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS124803
Scutellarein 7-O-beta-glucopyranoside
1 spectrum
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.38000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310950
Scutellarein tetraacetate
2 spectra
C23H18O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
454.09000
LC-ESI-ITTOF; MS2; [M+H]+
MSBNK-Univ_Toyama-TY000256
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000255
Sebacic acid
3 spectra
C10H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.12051
GC-EI-TOF; MS; 2 TMS; BP:129
MSBNK-Kazusa-KZ000071
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010233
GC-EI-TOF; MS; n TMS; RT:727.742 sec
MSBNK-Osaka_Univ-OUF00455
SEBACOYL DIMETHYL ESTER
1 spectrum
C12H22O4
230.15181
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010111
Sebuthylazine
14 spectra
C9H16ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
229.10941
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA067008
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA067002
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA067009
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA067003
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA067014
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA067001
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA067010
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA067004
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA067011
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA067005
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA067012
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA067006
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA067013
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA067007
SEC-BUTYL ACETATE
7 spectra
C6H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.08373
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005971
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001202
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001203
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001524
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005831
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005908
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008532
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