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34,643 Hit.
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Name
Formula / Structure
ExactMass
ID
SB281832
2 spectra
C22H19FN4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
406.14410
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002364
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002363
Scaposin
6 spectra
C19H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.09509
LC-ESI-QTOF; MS
MSBNK-BS-BS003674
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003670
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003675
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003673
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003672
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003671
Schaffer's acid
3 spectra
C10H8O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.01433
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002336
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002337
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002338
Sclareol
1 spectrum
C20H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.27151
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82146
Scoparin
2 spectra
C22H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
462.11621
LC-ESI-ITTOF; MS2; [M-H]-
MSBNK-Univ_Toyama-TY000254
LC-ESI-ITTOF; MS; [M-H]-
MSBNK-Univ_Toyama-TY000253
Scopolamine
1 spectrum
C17H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.14706
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82471
Scopoletin
17 spectra
C10H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.04225
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82153
LC-ESI-QTOF; MS
MSBNK-BS-BS003275
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
MSBNK-Fiocruz-FIO00953
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
MSBNK-Fiocruz-FIO00954
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
MSBNK-Fiocruz-FIO00955
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
MSBNK-Fiocruz-FIO00956
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
MSBNK-Fiocruz-FIO00957
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00378
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00384
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00390
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003272
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003273
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003274
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003270
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100935
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003271
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82151
Scopoletin, Escopoletin, Methylesculetin, Scopolet...
2 spectra
C10H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.17000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS124807
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS124808
Scutellarein
5 spectra
C15H10O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.04770
LC-ESI-QTOF; MS
MSBNK-BS-BS003660
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003664
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003663
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003661
LC-ESI-QTOF; MS2; CE:6 eV; [M-H]-
MSBNK-BS-BS003662
Scutellarein-7-glucuronide
6 spectra
C21H18O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
462.07980
LC-ESI-QTOF; MS
MSBNK-BS-BS003568
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003570
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003566
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003571
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003567
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003569
Sebacic acid
7 spectra
C10H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.12051
LC-ESI-IT; MS2; m/z: 201.2; [M-H]-
MSBNK-Metabolon-MT000009
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001807
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001808
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001809
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001810
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001811
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100605
sec-Butylparaben
3 spectra
C11H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.09430
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000536
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000537
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000535
sec-Butylurea
3 spectra
C5H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.09496
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001693
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001696
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001694
Secobarbital
8 spectra
C12H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.13174
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM834653
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ03084
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ03085
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ03086
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ03087
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ03088
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ03083
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU230757
Secoisolariciresinol
26 spectra
C20H26O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
362.17294
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82373
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307972
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307973
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307974
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307975
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307976
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307977
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307978
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307979
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307980
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307981
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307982
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307983
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307984
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307985
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307986
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307987
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307988
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307989
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307990
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307991
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307992
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307993
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308738
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308740
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82371
Secoisolariciresinol diglucoside
25 spectra
C32H46O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
686.70398
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307903
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307904
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307905
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307906
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307907
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307908
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307909
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307910
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307911
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307912
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307913
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307914
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307915
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307916
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307917
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307918
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307919
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307920
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307921
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307922
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307923
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307924
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307925
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308748
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308749
Sedoheptulose 7-phosphate
5 spectra
C7H15O10P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.04028
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001857
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001858
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001859
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001860
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001861
Selamectin
2 spectra
C43H63NO11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
769.44012
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01159251
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01159252
Sempervirine
11 spectra
C19H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.35101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304443
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304447
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304451
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304458
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304462
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304466
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304470
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304474
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304481
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304485
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308816
Sennoside
4 spectra
C42H38O20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
862.19562
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01335
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01340
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01345
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82166
Sennoside B
14 spectra
C42H38O20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
862.19562
LC-ESI-ITTOF; MS; [M-H]-
MSBNK-Univ_Toyama-TY000091
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307521
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307527
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307533
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307539
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307545
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307551
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307557
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307562
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307567
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307573
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307579
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307585
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308827
Ser(Ac), 2-Acetylamino-3-hydroxy-propionic acid, N...
1 spectrum
C5H9NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.13000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS090007
Ser(Ac), 2-Acetylamino-3-hydroxy-propionic acid, N...
1 spectrum
C5H9NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.13000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT209000
Serine O-sulfate
5 spectra
C3H7NO6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.99940
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001135
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001136
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001137
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001138
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001139
Shikimic acid
6 spectra
C7H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.05283
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82178
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01061
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP017511
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP017512
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP017513
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82176
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