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Name
Formula / Structure
ExactMass
ID
Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, ...
4 spectra
C27H30O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
594.52197
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086704
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086706
Saquinavir
4 spectra
C38H50N6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
670.38428
LC-ESI-Q; MS; POS; 15 V, 45 V
MSBNK-Waters-WA001497
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001496
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001495
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001494
SAR 150640
3 spectra
C25H34N2O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
506.20868
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001626
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001624
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001625
SAR102608
9 spectra
C20H16FN5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
361.13388
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001607
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001609
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001608
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU135901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU135902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU135903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU135904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU135905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU135906
SAR115740
9 spectra
C24H17F2N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
401.13397
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001297
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001299
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001295
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU050901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU050902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU050903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU050904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU050905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU050906
SAR377142
3 spectra
C26H33ClN6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
528.22516
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001178
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001177
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001175
Sarafloxacin
12 spectra
C20H17F2N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
385.12381
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ362007
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ362008
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ362001
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ362009
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ362002
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ362003
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ362004
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ362005
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ362006
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU103504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU103505
LC-ESI-QTOF; MS2; CE: Ramp 23.3-35.0 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU103501
Sarcinaxanthin
1 spectrum
C50H72O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
704.55322
FAB-EBEB; MS2; m/z: 704.55; [M]*+
MSBNK-Kyoto_Univ-CA000128
Sarcinaxanthin monoglucoside
1 spectrum
C56H82O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
866.60608
FAB-EBEB; MS2; m/z: 866.61; [M]*+
MSBNK-Kyoto_Univ-CA000127
SARCOPHYTOLIDE
1 spectrum
C20H28O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
316.20383
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010650
SARCOSINE
3 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103904_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103905_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103905_FB57
Sarcosine
8 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
EI-B; MS; 2 TMS; RT: 359.28 s
MSBNK-GL_Sciences_Inc-GLS00002
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010146
GC-EI-TOF; MS; n TMS; RT:339.929 sec
MSBNK-Osaka_Univ-OUF00452
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003987
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003988
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003989
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003990
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003991
Sarsasapogenin, (25S)-5beta-Spirostan-3beta-ol, (3...
4 spectra
C27H44O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.64600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS089401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS089402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS089403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS089404
Satratoxin F
9 spectra
C29H34O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
542.21521
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000583
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000584
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000588
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000585
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000589
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000586
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+Na]+
MSBNK-AAFC-AC000590
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000587
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+Na]+
MSBNK-AAFC-AC000591
Satratoxin G
9 spectra
C29H36O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
544.23083
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000592
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000593
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000597
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000594
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000598
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000595
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+Na]+
MSBNK-AAFC-AC000599
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000596
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+Na]+
MSBNK-AAFC-AC000600
Satratoxin H
9 spectra
C29H36O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
528.23590
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000601
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000602
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000606
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000603
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000607
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000604
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+Na]+
MSBNK-AAFC-AC000608
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000605
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+Na]+
MSBNK-AAFC-AC000609
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
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