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4,446 Hit.
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Name
Formula / Structure
ExactMass
ID
Sinapoyl aldehyde
25 spectra
C11H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.21300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302274
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302280
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302286
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302292
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302297
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302303
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302309
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302315
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302321
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302327
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302333
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302339
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305926
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305933
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305940
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305947
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305954
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305961
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305968
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305975
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305982
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305989
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305996
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306003
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310734
Sinapoyl malate
3 spectra
C15H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.28400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309002
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101055
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR101003
Sinapoyl malate (NMR)
2 spectra
C15H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.07941
LC-ESI-QTOF; MS
MSBNK-BS-BS001041
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS001040
Sinapoyl malate-1'-methyl ester (NMR)
3 spectra
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.09509
LC-ESI-QTOF; MS
MSBNK-BS-BS001048
LC-ESI-QTOF; MS2; CE:26 eV; [M-H]-
MSBNK-BS-BS001047
LC-ESI-QTOF; MS2; CE:43 eV; [M-H]-
MSBNK-BS-BS001049
Sinapoyl malate-4'-methyl ester (NMR)
5 spectra
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.09509
LC-ESI-QTOF; MS
MSBNK-BS-BS001046
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS001042
LC-ESI-QTOF; MS2; CE:26 eV; [M-H]-
MSBNK-BS-BS001044
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS001043
LC-ESI-QTOF; MS2; CE:43 eV; [M-H]-
MSBNK-BS-BS001045
Sinapoylagmatine
1 spectrum
C16H24N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.39200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310735
Sinapoylcholine
3 spectra
[C16H24NO5]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.16544
LC-ESI-QTOF; MS2; CE:15 eV; M+
MSBNK-IPB_Halle-PB000384
LC-ESI-QTOF; MS2; CE:25 eV; M+
MSBNK-IPB_Halle-PB000385
LC-ESI-QTOF; MS2; CE:40 eV; M+
MSBNK-IPB_Halle-PB000386
Sinapoylhexoside
1 spectrum
C17H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.35300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310737
Sinapoylhexoside (isomer of 953)
1 spectrum
C17H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.35300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309004
Sinapoylhexoside (isomer of 955)
1 spectrum
C17H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.35300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309003
Sinapyl aldehyde
1 spectrum
C11H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.07356
GC-EI-TOF; MS; n TMS; RT:814.012 sec
MSBNK-Osaka_Univ-OUF00460
Sinigrin
4 spectra
C10H17NO9S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
359.03448
GC-EI-TOF; MS; n TMS; RT:876.775 sec
MSBNK-Osaka_Univ-OUF00461
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020005
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-RIKEN-PR040062
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100648
Sinomenine
37 spectra
C19H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.16272
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82182
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000053
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00286
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00287
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00288
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00285
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000118
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300440
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300444
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300447
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300451
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300455
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300459
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300463
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300467
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300471
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300475
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300479
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300483
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304747
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304749
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304751
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304753
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304755
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304757
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304759
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304761
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304763
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304765
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304767
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304769
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308865
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310582
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00396
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00410
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82181
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82180
SINULARIOLIDE
1 spectrum
C20H30O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
334.21442
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010666
sipeimine
4 spectra
C27H43NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
429.64871
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03122
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03123
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03124
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03121
Sipeimine, 3-Ac
4 spectra
C29H45NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
471.68631
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00131
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00130
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00129
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00132
Sipeimone
1 spectrum
C27H41NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.63269
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000170
Sisomicin
18 spectra
C19H37N5O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
447.26929
LC-ESI-IT; MS2; m/z: 448; [M+H]+
MSBNK-Keio_Univ-KO009245
LC-ESI-IT; MS3; m/z: 448/322; [M+H]+
MSBNK-Keio_Univ-KO009246
LC-ESI-IT; MS4; m/z: 448/322/205; [M+H]+
MSBNK-Keio_Univ-KO009247
LC-ESI-QQ; MS2; CE:10 V; [M+2H]++
MSBNK-Keio_Univ-KO004037
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004032
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001832
LC-ESI-QQ; MS2; CE:20 V; [M+2H]++
MSBNK-Keio_Univ-KO004038
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004033
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001833
LC-ESI-QQ; MS2; CE:30 V; [M+2H]++
MSBNK-Keio_Univ-KO004039
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004034
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001834
LC-ESI-QQ; MS2; CE:40 V; [M+2H]++
MSBNK-Keio_Univ-KO004040
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004035
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001835
LC-ESI-QQ; MS2; CE:50 V; [M+2H]++
MSBNK-Keio_Univ-KO004041
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004036
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001836
Sissotrin
18 spectra
C22H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.12131
LC-ESI-QTOF; MS
MSBNK-BS-BS003321
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003319
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003320
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003330
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003316
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003317
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003329
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003315
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003322
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003324
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003325
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003327
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003331
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003323
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003326
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003328
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100364
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003318
Sissotrine
10 spectra
C22H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.12131
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82188
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82187
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00158
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00199
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00172
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00212
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00186
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00225
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82186
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82185
SIT_n_405.0789_18.6
1 spectrum
C16H12F6N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
406.08640
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET407401
SIT_n_420.0899_18.2
1 spectrum
C16H13F6N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
421.09729
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET407501
SIT_n_436.0847_18.3
1 spectrum
C16H13F6N5O3
437.09229
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET407601
SIT_n_436.0847_19.2
1 spectrum
C16H13F6N5O3
437.09229
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET407701
SIT_n_437.0687_20.7
1 spectrum
C16H12F6N4O4
438.07629
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET407801
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