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Name
Formula / Structure
ExactMass
ID
SSR126768
6 spectra
C33H31Cl2N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
603.16919
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU022301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU022302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU022303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU022304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU022305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU022306
SSR146977
3 spectra
C35H42Cl2N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
620.26849
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000695
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000696
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000694
SSR161421
12 spectra
C25H20N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.15860
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU063101
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU063151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU063102
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU063152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU063103
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU063153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU063104
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU063154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU063105
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU063155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU063106
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU063156
SSR180711
9 spectra
C14H17BrN2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.04733
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000510
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000509
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000508
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU054001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU054002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU054003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU054004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU054005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU054006
SSR504734
6 spectra
C20H20ClF3N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
396.12161
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001424
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001423
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001421
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001420
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001419
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001422
SSR69071
9 spectra
C27H32N4O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
556.19916
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000145
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000146
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000147
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU051001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU051002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU051003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU051004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU051005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU051006
STA-0DC (TENTATIVE)
1 spectrum
C12H12O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.03036
LC-ESI-ITFT; MS2; HCD60; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00006
STA-4C (TENTATIVE)
1 spectrum
C15H20O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.10309
LC-ESI-ITFT; MS2; HCD60; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00005
Stachybocin B
8 spectra
C52H70N2O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
898.49799
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000610
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000611
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000612
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000615
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000613
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
MSBNK-AAFC-AC000616
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000614
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
MSBNK-AAFC-AC000617
Stachybocin C
9 spectra
C52H70N2O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
898.49799
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000618
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000619
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000623
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000620
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000624
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000621
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
MSBNK-AAFC-AC000625
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000622
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
MSBNK-AAFC-AC000626
Stachybotrylactam
12 spectra
C23H31NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
385.22531
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003864
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003392
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003865
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003393
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003866
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003394
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003867
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003395
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003868
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003396
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003869
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003397
Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal...
6 spectra
C24H42O21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
666.57898
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS126207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS126208
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS126209
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS126210
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS126211
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS126212
STANOLONE
1 spectrum
C19H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.22458
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004114
Stanozolol
3 spectra
C21H32N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.25146
LC-ESI-Q; MS; POS; 15 V, 60 V
MSBNK-Waters-WA000533
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000532
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000531
Stavudine
6 spectra
C10H12N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.07971
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002178
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002177
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002176
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002175
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002174
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002173
Stearic acid
12 spectra
C18H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.27151
LC-ESI-QTOF; MS
MSBNK-BS-BS003930
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP024311
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N109326_9CB7
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP024312
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N109326_B8BB
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003929
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003931
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003932
STEARIC ACID
2 spectra
C18H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.27151
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010943
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011379
Stearic acid
12 spectra
C18H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.27151
GC-EI-TOF; MS; 1 TMS; BP:117
MSBNK-Kazusa-KZ000270
GC-EI-TOF; MS; 1 TMS; BP:73
MSBNK-RIKEN-PR010237
GC-EI-TOF; MS; n TMS; RT:860.318 sec
MSBNK-Osaka_Univ-OUF00401
LC-ESI-IT; MS2; m/z: 283.4; [M-H]-
MSBNK-Metabolon-MT000015
Stearidonic acid (18:4(n-3))
1 spectrum
C18H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.20892
LC-ESI-IT; MS2; m/z: 275.3; [M-H]-
MSBNK-Metabolon-MT000005
Stearoyl-L-Carnitine
3 spectra
C25H49NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.36621
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP025601
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP025602
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP025603
STEARYLAMIDE
1 spectrum
C18H37NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.28751
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008349
Stepharine
5 spectra
C18H19NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.35699
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01167
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01166
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01165
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01168
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000089
Sterigmatocystin
25 spectra
C18H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.06339
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002521
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003662
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003663
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000224
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002522
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002523
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000225
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002524
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002525
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000226
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002914
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000227
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002915
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002916
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002917
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000228
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002918
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003289
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003290
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003291
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003292
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003293
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003659
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003660
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003661
Steviobioside
5 spectra
C32H50O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
642.74750
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02450
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02451
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02452
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02449
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000416
steviolbioside
3 spectra
C32H50O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
642.32513
LC-ESI-QQ; MS2; CE:20V; [M-H]-
MSBNK-Fukuyama_Univ-FU000298
LC-ESI-QQ; MS2; CE:40V; [M-H]-
MSBNK-Fukuyama_Univ-FU000299
LC-ESI-QQ; MS2; CE:60V; [M-H]-
MSBNK-Fukuyama_Univ-FU000300
steviolmonoside
3 spectra
C26H40O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
480.27231
LC-ESI-QQ; MS2; CE:20V; [M-H]-
MSBNK-Fukuyama_Univ-FU000295
LC-ESI-QQ; MS2; CE:40V; [M-H]-
MSBNK-Fukuyama_Univ-FU000296
LC-ESI-QQ; MS2; CE:60V; [M-H]-
MSBNK-Fukuyama_Univ-FU000297
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