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5,471 Hit.
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Name
Formula / Structure
ExactMass
ID
Sophoricoside
10 spectra
C21H20O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.10565
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82203
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82202
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01283
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01300
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01289
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01305
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01295
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01310
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82201
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82200
SORBIC ACID METHYL ESTER
1 spectrum
C7H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.06808
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006229
Sorbifolin
6 spectra
C16H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.06339
LC-ESI-QTOF; MS
MSBNK-BS-BS003678
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003676
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003679
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003677
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003681
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003680
Sorbitol
1 spectrum
C6H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.07904
LC-ESI-ITFT; MS2; CE 20 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000234
Sotalol
67 spectra
C12H20N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.11951
LC-ESI-ITFT; MS2; CE: 120%; R=30000; [M+H]+
MSBNK-UFZ-UA008704
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA017008
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA017058
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA017002
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA017052
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA017009
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA017059
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA017003
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA017053
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA017014
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA008701
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA017064
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA017001
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA017051
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA017010
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA017060
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA017004
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA017054
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA017011
LC-ESI-ITFT; MS2; CE: 60%; R=30000; [M+H]+
MSBNK-UFZ-UA008702
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA017005
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA017012
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA017006
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA017013
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-UFZ-UA008703
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA017007
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000654
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000653
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000652
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000651
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000650
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000649
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111013687
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311108489
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311108486
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311108478
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311108477
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311108483
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311108484
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311108488
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111013686
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311108490
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111013685
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311108487
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013681
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013683
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108479
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108485
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111013682
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311108482
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311108480
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111013684
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311108475
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311108476
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311108481
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238301
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238357
LC-ESI-QTOF; MS2; CE: 10.0V; [M+H]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00651
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238302
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238358
LC-ESI-QTOF; MS2; CE: 20.0V; [M+H]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00652
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238303
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238359
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238304
LC-ESI-QTOF; MS2; CE: 40.0V; [M+H]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00653
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238305
LC-ESI-QTOF; MS2; CE: Ramp 20.6-30.9 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238306
Soyasapogenol A
13 spectra
C30H50O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
474.72601
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304351
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304355
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304359
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304363
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304367
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304370
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304374
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304377
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304381
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304385
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304389
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304393
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310392
Soyasapogenol A base + O-HexA-Hex-Hex
1 spectrum
C48H78O20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
975.13202
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310680
Soyasapogenol A base + O-HexA-Hex-Hex, O-Pen-4Acet...
2 spectra
C61H94O28
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1275.39502
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308940
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310690
Soyasapogenol B + dHex + Hex + HexA + malonyl
1 spectrum
C51H80O21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1029.18005
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308931
Soyasapogenol B base + O-DDMP, O-HexA-HexA
2 spectra
C48H72O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
937.08600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308921
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310672
Soyasapogenol B base + O-dHex, O-HexA-HexA-dHex
2 spectra
C54H86O23
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1103.25903
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308939
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310689
Soyasapogenol B base + O-HexA+HexA+dHex
2 spectra
C48H74O19
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
955.10101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308922
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310673
Soyasapogenol B base + O-HexA, Hex, dHex, 1malonyl
1 spectrum
C51H80O21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1029.18005
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310681
Soyasapogenol B base + O-HexA-dHex-dHex-Pen
1 spectrum
C53H86O21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1059.25000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310684
Soyasapogenol B base + O-HexA-dHex-Pen
2 spectra
C47H74O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
911.09198
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308917
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310668
Soyasapogenol B base + O-HexA-Hex
1 spectrum
C42H68O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
796.99200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308915
Soyasapogenol B base + O-HexA-Hex-Pen
2 spectra
C47H76O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
929.10699
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308920
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310670
Soyasapogenol B base + O-HexA-Hex-Pen, O-C6H7O3(DD...
2 spectra
C54H84O21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1069.24500
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308938
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310688
Soyasapogenol B base + O-HexA-Hex-Pen, O-dHex
2 spectra
C53H86O22
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1075.24902
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308935
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310685
Soyasapogenol B base + O-HexA-HexA
1 spectrum
C42H66O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
810.97498
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308913
Soyasapogenol B base + O-HexA-HexA-dHex
2 spectra
C48H76O19
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
957.11700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308924
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310675
Soyasapogenol B base + O-HexA-HexA-dHex, O-C6H7O3(...
2 spectra
C54H82O22
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1083.22803
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308937
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310687
Soyasapogenol B base + O-HexA-HexA-Hex+Me+Acetyl
2 spectra
C51H80O21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1029.18005
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308932
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310682
Soyasapogenol B base + O-HexA-Pen
2 spectra
C41H66O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
766.96600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308907
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310660
Soyasapogenol B base + O-HexA-Pen-dHex
3 spectra
C47H76O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
913.10797
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308918
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308919
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310669
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