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Compound Name:
S
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5,547 Hit.
( 155 - 295 Displayed )
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Name
Formula / Structure
ExactMass
ID
S-Sulforaphene, (-)4-Isothiocyanato-4R-(methylsulf...
2 spectra
C6H9NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.27400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS106901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS106902
S-Sulforaphene, (E)-4-isothiocyanato-1-methylsulfi...
2 spectra
C6H9NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.27400
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT110690
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210690
S4:16(P3:14/F1:2)
2 spectra
C28H46O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
622.66101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309007
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310738
S4:17(P3:15/F1:2)
2 spectra
C29H48O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
636.68799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309008
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310739
S4:18(P3:16/F1:2)
2 spectra
C30H50O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
650.71503
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309009
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310740
S4:19(P3:17/F1:2)
2 spectra
C31H52O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
664.74200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309010
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310741
S4:20(P3:18/F1:2)
2 spectra
C32H54O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
678.76898
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309011
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310742
Sabinene
2 spectra
C10H16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.12520
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100376
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100375
SACCHARIN
1 spectrum
C7H5NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.99901
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004570
Saccharin
32 spectra
C7H5NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.99901
LC-ESI-IT; MS2; m/z: 182.1; [M-H]-
MSBNK-Metabolon-MT000052
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA281658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA281652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA281659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA281653
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA281664
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA281651
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA281660
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA281654
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA281661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA281655
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA281662
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA281656
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
MSBNK-Eawag-EA281663
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA281657
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM867051
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111010678
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111010666
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111010673
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111010671
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111010667
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111010670
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111010676
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111010675
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111010677
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010668
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010669
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111010672
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111010665
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111010664
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111010674
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111010679
Saccharolactic acid, (2S,3R,4S,5R)-2,3,4,5-tetrahy...
1 spectrum
C6H10O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.13800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210440
Saccharolactic acid, mucic acid, Tetrahydroxyhexan...
2 spectra
C6H10O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.13800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104407
Sacubitril
14 spectra
C24H29NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
411.20456
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-Eawag-EQ01101407
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-
MSBNK-Eawag-EQ01101457
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EQ01101401
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EQ01101451
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EQ01101402
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EQ01101452
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EQ01101403
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EQ01101453
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EQ01101404
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EQ01101454
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EQ01101405
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EQ01101455
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EQ01101406
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EQ01101456
Sacubitrilat
15 spectra
C22H25NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
383.17328
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01154907
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01154901
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01154951
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag-EQ01154908
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag-EQ01154909
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01154902
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01154952
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01154903
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag-EQ01154953
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01154904
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag-EQ01154954
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01154905
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag-EQ01154955
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01154906
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
MSBNK-Eawag-EQ01154956
SAFRAMYCIN-A
2 spectra
C29H30N4O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
562.20636
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000145
FD-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000146
SAFRAMYCIN-B
2 spectra
C28H31N3O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
537.21112
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000147
FD-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000148
SAFRAMYCIN-C
2 spectra
C29H33N3O9
567.22168
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000149
FD-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000150
Safranin
10 spectra
[C20H19N4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
315.16098
LC-ESI-ITFT; MS2; CE 35 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000191
LC-ESI-ITFT; MS2; CE 70 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000192
LC-ESI-ITFT; MS; [M]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000193
LC-ESI-QTOF; MS2; CE:10 eV; M+
MSBNK-IPB_Halle-PB005961
LC-ESI-QTOF; MS2; CE:15 eV; M+
MSBNK-IPB_Halle-PB005962
LC-ESI-QTOF; MS2; CE:20 eV; M+
MSBNK-IPB_Halle-PB005963
LC-ESI-QTOF; MS2; CE:25 eV; M+
MSBNK-IPB_Halle-PB005981
LC-ESI-QTOF; MS2; CE:30 eV; M+
MSBNK-IPB_Halle-PB005982
LC-ESI-QTOF; MS2; CE:35 eV; M+
MSBNK-IPB_Halle-PB005983
LC-ESI-QTOF; MS2; CE:40 eV; M+
MSBNK-IPB_Halle-PB005984
Safranine
1 spectrum
[C20H19N4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
315.16098
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100468
Safranine, 2,8-Dimethylphenosafranine, 3,7-dimethy...
1 spectrum
[C20H19N4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
315.39999
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT112370
SAFROL
1 spectrum
C10H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.06808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009448
SAFROLE
2 spectra
C10H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.06808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009330
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009742
Saikosaponin A
3 spectra
C42H68O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
780.46600
LC-ESI-ITTOF; MS2; [M-H]-
MSBNK-Univ_Toyama-TY000112
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000032
LC-ESI-ITTOF; MS; [M-H]-
MSBNK-Univ_Toyama-TY000022
Saikosaponin a
34 spectra
C42H68O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
780.99298
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303805
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303810
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303813
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303817
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303823
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303827
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303830
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303833
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307692
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307693
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307697
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307698
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307701
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307702
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307705
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307706
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307710
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307711
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307714
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307715
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307719
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307720
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307724
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307725
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307729
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307730
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307732
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307733
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307736
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307737
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307740
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307741
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308692
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308695
Saikosaponin B2
2 spectra
C42H68O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
780.46600
LC-ESI-ITTOF; MS2; [M-H]-
MSBNK-Univ_Toyama-TY000194
LC-ESI-ITTOF; MS; [M-H]-
MSBNK-Univ_Toyama-TY000070
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