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Name
Formula / Structure
ExactMass
ID
8-OH-Mirtazapine
5 spectra
C17H19N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.15280
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155507
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155508
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155509
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155510
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155511
8-Prenylnaringenin
24 spectra
C20H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.13110
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002444
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003587
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003588
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002445
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002446
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002447
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002448
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002839
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002840
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002841
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002842
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002843
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003219
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003220
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003221
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003222
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003223
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003584
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003585
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003586
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003002
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003001
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003003
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003000
8-QUINOLYLMETHYL 2-METHYLBENZOATE
1 spectrum
C18H15NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
277.11029
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011468
82FTA
7 spectra
C10H3F17O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
477.98615
LC-ESI-QQ; MS
MSBNK-PFOS_research_group-FFF00406
LC-ESI-QQ; MS2; CE10; [M-H]-
MSBNK-PFOS_research_group-FFF00407
LC-ESI-QQ; MS2; CE20; [M-H]-
MSBNK-PFOS_research_group-FFF00408
LC-ESI-QQ; MS2; CE30; [M-H]-
MSBNK-PFOS_research_group-FFF00409
LC-ESI-QQ; MS2; CE40; [M-H]-
MSBNK-PFOS_research_group-FFF00410
LC-ESI-QQ; MS2; CE50; [M-H]-
MSBNK-PFOS_research_group-FFF00411
LC-ESI-QQ; MS2; CE60; [M-H]-
MSBNK-PFOS_research_group-FFF00412
8:1+2O fatty acyl hexoside
1 spectrum
C14H26O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.35400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309337
8:2 fluorotelomer unsaturated carboxylic acid
3 spectra
C10H2F16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
457.97989
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA273359
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA273353
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA273351
8ALPHA-(1-METHOXY-1-METHYL-3-BUTENYL)-6,6-DIMETHYL...
1 spectrum
C18H30O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.21948
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002440
8ALPHA-(2-(2-HYDROXY-3-BUTENYL))-6,6-DIMETHYL-1ALP...
1 spectrum
C16H26O3
266.18820
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002445
8ALPHA-(3-HYDROXY-1-METHOXY-1-METHYL)PROPYL-6,6-DI...
1 spectrum
C15H26O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.18819
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002439
8ALPHA-(3-PROPANOYL)-6,6,8BETA-TRIMETHYL-1ALPHA,5A...
1 spectrum
C14H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.16199
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005492
8phiC8SPC
18 spectra
C14H20O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.10315
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ357107
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
MSBNK-Eawag-EQ357157
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ357108
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
MSBNK-Eawag-EQ357158
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ357101
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ357151
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ357109
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
MSBNK-Eawag-EQ357159
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ357102
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ357152
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ357103
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ357153
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ357104
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ357154
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ357105
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ357155
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ357106
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ357156
8phiC8SPC (STANDARD)
2 spectra
C14H20O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.10309
LC-ESI-QFT; MS2; HCD50; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00016
LC-ESI-QFT; MS2; HCD80; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00017
8phiC9SPC
1 spectrum
C15H22O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.11880
LC-ESI-QTOF; MS2; 29 eV; [M-H]-
MSBNK-Literature_Specs-LIT00034
8XI-(1-OXO-2-PROPENYL)-4,6,6-TRIMETHYLBICYCLO(2.2....
1 spectrum
C14H20O2
220.14633
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008029
9(10)-EpOME-[d4]
6 spectra
C18H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.23514
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000103
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000104
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000105
LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000412
LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000413
LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000414
9(10H)-ACRIDONE
1 spectrum
C13H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.06841
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009480
9(10H)-ANTHRACENONE
1 spectrum
C14H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.07317
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010468
9(11)-Dehydroglycyrrhetic acid
5 spectra
C30H46O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
454.69931
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00634
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00635
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00636
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00633
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000464
9(11)-dehydrohecogenin
5 spectra
C27H40O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.61749
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02798
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02799
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02800
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02797
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000373
9(Z),12(Z)-octadecadienoyl-L-carnitine
6 spectra
C25H45NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
423.33490
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N101306_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N101316_9EE2
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N101306_EF88
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N101316_CC60
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N101306_FB57
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N101316_2347
9,10,16-Trihydroxyhexadecanoic acid
1 spectrum
C16H32O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.43039
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000003
9,10-BIS(TRIMETHYLSILYL)ANTHRACENE
1 spectrum
C20H26Si2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.15729
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002356
9,10-BIS(TRIMETHYLSILYL)TRIPTYCENE
1 spectrum
C26H30Si2
398.18860
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004656
9,10-DIBROMOANTHRACENE
1 spectrum
C14H8Br2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
333.89929
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008779
9,10-DICYANOANTHRACENE
1 spectrum
C16H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
228.06876
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004837
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