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Name
Formula / Structure
ExactMass
ID
DECYL VINYL ETHER
1 spectrum
C12H24O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.18272
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007214
DECYLALDEHYDE
2 spectra
C10H20O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.15141
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001485
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009328
DECYLBENZENE
1 spectrum
C16H26
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.20345
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012301
Deepoxyneoxanthin
1 spectrum
C40H56O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
584.42297
FAB-EBEB; MS2; m/z: 584.42; [M]*+
MSBNK-Kyoto_Univ-CA000120
DEET
32 spectra
C12H17NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
191.13100
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000101
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA021308
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA021302
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA021309
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA021303
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA021314
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA021301
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF417603
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+Na]+
MSBNK-UFZ-UF417635
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA021310
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA021304
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF417601
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF417604
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+Na]+
MSBNK-UFZ-UF417633
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+Na]+
MSBNK-UFZ-UF417636
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA021311
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA021305
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA021312
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA021306
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF417602
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+Na]+
MSBNK-UFZ-UF417634
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA021313
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA021307
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM822301
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM879706
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000172
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU335301
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU335302
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU335306
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU335303
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU335304
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU335305
Deethylatrazine
6 spectra
C6H10ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.06250
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU129601
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU129602
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU129603
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU129604
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU129605
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU129606
Deferasirox
11 spectra
C21H15N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
373.10626
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ284201
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ284251
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ284202
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ284252
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ284203
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ284253
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ284254
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ284205
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ284255
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ284206
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ284256
Dehydro fucoxanthin acetate
1 spectrum
C44H58O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
682.42334
FAB-EBEB; MS2; m/z: 682.42; [M]*+
MSBNK-Kyoto_Univ-CA000121
Dehydro-piliformic-acid
3 spectra
C11H16O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.10486
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00850
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00851
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00852
Dehydroabietic acid
5 spectra
C20H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.44501
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00690
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00691
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00692
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00689
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000410
Dehydroabietylamine
5 spectra
C20H31N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
285.24564
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81052
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00353
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00363
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00373
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81050
Dehydrocholic acid
7 spectra
C24H34O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
402.24063
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81058
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81057
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01316
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01336
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01341
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81056
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81055
Dehydrocorydaline
14 spectra
[C22H24NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
366.17053
LC-ESI-ITTOF; MS; [M]+
MSBNK-Univ_Toyama-TY000046
LC-ESI-ITTOF; MS; [M]+
MSBNK-Univ_Toyama-TY000107
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300716
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300720
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300725
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300730
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300739
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300744
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300749
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300754
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300758
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300762
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300766
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310616
Dehydrocostus lactone
3 spectra
C15H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.13071
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000102
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000043
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000173
dehydrocostus lactone
1 spectrum
C15H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.13071
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-MetaboLights-ML003601
Dehydrocyclopeptine
12 spectra
C17H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.10550
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003701
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003198
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003702
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003200
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003703
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003202
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004083
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003199
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004084
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003201
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004085
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003203
Dehydroeburicoic acid
14 spectra
C31H48O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
468.36035
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00440
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00441
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00442
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00443
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00444
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00445
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00433
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00434
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00435
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00436
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00437
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00438
ESI-QTOF; MS; NEGAIVE
MSBNK-MSSJ-MSJ00439
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00432
DEHYDROEPIANDROSTERONE
2 spectra
C19H28O2
288.20892
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009698
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011652
Dehydroepiandrosterone
15 spectra
C19H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.20892
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81062
LC-APPI-QQ; MS
MSBNK-PFOS_research_group-FFF00096
LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+
MSBNK-PFOS_research_group-FFF00095
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00089
LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+
MSBNK-PFOS_research_group-FFF00094
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00088
LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+
MSBNK-PFOS_research_group-FFF00093
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00087
LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+
MSBNK-PFOS_research_group-FFF00092
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00086
LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+
MSBNK-PFOS_research_group-FFF00091
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00085
LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+
MSBNK-PFOS_research_group-FFF00090
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00084
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81060
Dehydroepiandrosterone (DHEA)
6 spectra
C19H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.20892
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ308501
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ308502
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ308503
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ308504
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ308505
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ308506
Dehydroglaucine
2 spectra
C21H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
353.16272
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81067
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81065
Dehydrohistidyl-tryptophanyl-diketopiperazine
5 spectra
C17H15N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
321.12256
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000771
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000772
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000773
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000774
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000775
Dehydroisoandrosterone-3-sulfate
1 spectrum
C19H28O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.16574
GC-EI-TOF; MS; n TMS; RT:922.099 sec
MSBNK-Osaka_Univ-OUF00161
Dehydronifedipine
5 spectra
C17H16N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.10083
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002605
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002604
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002603
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002601
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002602
Dehydrophytosphingosine (not validated) - 2H
1 spectrum
C18H35NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.48199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310828
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