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Name
Formula / Structure
ExactMass
ID
Helicocerin, cerulenin, (2R,3S)-3-[(4E,7E)-nona-4,...
1 spectrum
C12H17NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
223.27200
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT111300
Helicocerin, cerulenin, (2R,3S,E,E)-2,3-Epoxy-4-ox...
4 spectra
C12H17NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
223.27200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113003
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113004
Heliotrine
60 spectra
C16H27NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.18890
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000406
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002516
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000702
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003657
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003658
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000407
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000456
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002517
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000408
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000457
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002518
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000409
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000458
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002519
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000410
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000459
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002520
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000460
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000507
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002909
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000506
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000557
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002910
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000509
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000556
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002911
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000508
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000559
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002912
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000558
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000607
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002913
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000510
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000655
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003284
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000560
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000609
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003285
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000606
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000657
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003286
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000654
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000703
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003287
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000608
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000743
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003288
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000656
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000704
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003654
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000610
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000744
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003655
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000658
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003656
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02030
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02031
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02032
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02029
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000042
Heliotrine N-oxide
20 spectra
C16H27NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.18381
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002349
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003492
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003493
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002350
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002351
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002352
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002353
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002744
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002745
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002746
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002747
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002748
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003124
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003125
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003126
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003127
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003128
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003489
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003490
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003491
HELIOTROPYL ACETATE
1 spectrum
C10H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.05791
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006383
Hematoporphyrin_I
5 spectra
C34H38N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
598.27911
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000216
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000217
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000218
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000219
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000220
Hematoxylin
4 spectra
C16H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.07904
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01097
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01103
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81376
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81375
HENEICOSANE
2 spectra
C21H44
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.34430
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012171
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009554
Heneicosanoic acid
4 spectra
C21H42O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.31851
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003934
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003935
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003936
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003933
HENEICOSANOIC ACID TRIMETHYLSILYL ESTER
1 spectrum
C24H50O2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
398.35800
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000575
HENICOSANE
1 spectrum
C21H44
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.34430
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009118
HEPTABARBITAL
1 spectrum
C13H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.13174
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003170
HEPTACOSANE
1 spectrum
C27H56
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
380.43820
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008147
Heptadecafluoroundecanoic acid
16 spectra
C11H5F17O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
492.00180
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111011190
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111011204
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111011193
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111011197
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111011192
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111011202
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111011198
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111011191
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111011201
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011189
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011200
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111011199
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111011196
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111011195
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111011194
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111011203
HEPTADECANE
3 spectra
C17H36
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.28169
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012167
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006886
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007691
Heptadecane, n-Heptadecane, Alkane C17
1 spectrum
C17H36
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.47501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS111001
HEPTADECANEDIOIC ACID BIS(TRIMETHYLSILYL)ESTER
1 spectrum
C23H48O4Si2
444.30911
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001080
Heptadecanoic acid
7 spectra
C17H34O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.25589
GC-EI-TOF; MS; n TMS; RT:825.166 sec
MSBNK-Osaka_Univ-OUF00262
LC-ESI-IT; MS2; m/z: 269.3; [M-H]-
MSBNK-Metabolon-MT000073
LC-ESI-QTOF; MS
MSBNK-BS-BS003909
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003910
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003907
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003908
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003911
HEPTADECANOIC ACID TRIMETHYLSILYL ESTER
1 spectrum
C20H42O2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.29541
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000571
Heptadecanoyl Ethanolamide
3 spectra
C19H39NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.29807
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP003201
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP003202
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP003203
HEPTADECYLBENZENE
1 spectrum
C23H40
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
316.31299
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012325
Heptaminol
4 spectra
C8H19NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.14667
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001458
LC-ESI-Q; MS; POS; 30 V, 45 V
MSBNK-Waters-WA001457
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001456
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001455
HEPTANAL
2 spectra
C7H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.10447
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008680
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008765
HEPTANAL DIETHYL ACETAL
1 spectrum
C11H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.17763
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008454
HEPTANAL DIISOPENTYL ACETAL
1 spectrum
C17H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.27151
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009267
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