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Name
Formula / Structure
ExactMass
ID
Strychnine_N_Oxide
5 spectra
C21H22N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
350.16302
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000416
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000417
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000418
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000419
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000420
Styrene
3 spectra
C8H8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.06260
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501102
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501103
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501104
STYRENE
1 spectrum
C8H8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.06260
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012244
STYRENE 0XIDE
1 spectrum
C8H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.05751
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004681
STYRENE OXIDE
3 spectra
C8H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.05751
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008412
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008413
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011498
SU-5416
6 spectra
C15H14N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.11061
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001011
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001006
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001008
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001009
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001010
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001007
Subcusine
5 spectra
C24H39NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
437.58151
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01550
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01551
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01552
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01549
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000175
Suberic acid
18 spectra
C8H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.08920
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP015301
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP015311
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP015302
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP015312
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP015303
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP015313
SUBERIC ACID
1 spectrum
C8H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.08920
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003897
Suberic acid
18 spectra
C8H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.08920
EI-B; MS; 2 TMS; RT: 682.90 s
MSBNK-GL_Sciences_Inc-GLS00131
GC-EI-TOF; MS; n TMS; RT:644.017 sec
MSBNK-Osaka_Univ-OUF00464
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003982
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001794
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003983
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001795
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003984
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001796
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003985
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001797
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003986
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001798
Suberic acid (Not validated)
1 spectrum
C8H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.19600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309130
Suberic acid bis(N-hydroxysuccinimide ester), DSS,...
1 spectrum
C16H20N2O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.34201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS094901
Suberic acid, Octanedioic acid, Suberate, Cork Aci...
4 spectra
C8H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.19600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079407
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079408
Subhirsine
5 spectra
C33H40N2O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
608.69470
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02466
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02467
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02468
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02465
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000055
Subsessiline
25 spectra
C43H48N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
716.87903
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300326
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300330
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300335
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300340
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300345
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300350
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300355
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300360
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300365
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300370
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300375
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304679
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304683
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304687
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304691
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304695
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304699
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304703
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304707
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304711
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304718
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304722
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308893
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310656
SUC_n_403.0202_13.3
1 spectrum
C12H16Cl2O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
358.02219
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+HCOO-]-
MSBNK-Eawag_Additional_Specs-ET408367
Succinic acid
24 spectra
C4H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.02661
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155051
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155052
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155053
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155054
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155055
SUCCINIC ACID
2 spectra
C4H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.02661
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003893
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011660
Succinic acid
24 spectra
C4H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.02661
EI-B; MS; 2 TMS; RT: 474.08 s
MSBNK-GL_Sciences_Inc-GLS00166
GC-EI-Q; MS; POSITIVE; 2 TBDMS-derivative
MSBNK-MSSJ-MSJ00709
GC-EI-Q; MS; POSITIVE; 2TMS-derivative
MSBNK-MSSJ-MSJ00690
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00761
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 2 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00728
GC-EI-TOF; MS; 2 TMS; BP:147
MSBNK-Kazusa-KZ000074
GC-EI-TOF; MS; 2 TMS; BP:147
MSBNK-RIKEN-PR010238
GC-EI-TOF; MS; n TMS; RT:449.444 sec
MSBNK-Osaka_Univ-OUF00465
LC-ESI-ITFT; MS2; m/z:112.99; NEG
MSBNK-NAIST-KNA00524
LC-ESI-ITFT; MS2; m/z:117.02; NEG
MSBNK-NAIST-KNA00525
LC-ESI-ITFT; MS2; m/z:248.96; NEG
MSBNK-NAIST-KNA00526
LC-ESI-ITFT; MS; NEG
MSBNK-NAIST-KNA00523
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001784
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001785
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001786
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001787
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001788
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100606
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR101002
Succinic acid (not validated)
1 spectrum
C4H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.08800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309122
Succinic acid, Asuccin, Dicarboxylic Acid C4, 1,2-...
1 spectrum
C4H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.08800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034407
Succinic acid-[1,2,3,4-13C4]
4 spectra
C4H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.02661
GC-EI-Q; MS; POSITIVE; 2 TBDMS-derivative
MSBNK-MSSJ-MSJ00710
GC-EI-Q; MS; POSITIVE; 2TMS-derivative
MSBNK-MSSJ-MSJ00691
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00762
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 2 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00729
SUCCINIMIDE
2 spectra
C4H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
99.03203
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001388
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010405
Succinimide
5 spectra
C4H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
99.03203
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001802
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001803
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001804
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001805
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001806
SUCCINONITRILE
1 spectrum
C4H4N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
80.03745
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002890
Succinylcholine
5 spectra
[C14H30N2O4]2+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.22055
LC-ESI-QQ; MS2; CE:10 V; M++
MSBNK-Keio_Univ-KO004062
LC-ESI-QQ; MS2; CE:20 V; M++
MSBNK-Keio_Univ-KO004063
LC-ESI-QQ; MS2; CE:30 V; M++
MSBNK-Keio_Univ-KO004064
LC-ESI-QQ; MS2; CE:40 V; M++
MSBNK-Keio_Univ-KO004065
LC-ESI-QQ; MS2; CE:50 V; M++
MSBNK-Keio_Univ-KO004066
Sucralose
12 spectra
C12H19Cl3O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
396.01450
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000067
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA070358
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA070352
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA070364
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA070351
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000264
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111018939
LC-ESI-QTOF; MS2; CE: 10.0V; [M+Na]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00661
LC-ESI-QTOF; MS2; CE: 10.0V; [M-H]-
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00665
LC-ESI-QTOF; MS2; CE: 20.0V; [M+Na]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00662
LC-ESI-QTOF; MS2; CE: 20.0V; [M-H]-
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00666
LC-ESI-QTOF; MS2; CE: 40.0V; [M-H]-
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00667
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