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Name
Formula / Structure
ExactMass
ID
5-TERT-BUTYL-3,3-DIMETHYL-1-INDANONE
2 spectra
C15H20O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.15141
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005240
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007963
5-TERT-BUTYLMERCAPTO-2-PICOLINE
1 spectrum
C10H15NS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
181.09251
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003013
5-TRIMETHYLSILYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-...
1 spectrum
C7H12N2O2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.06680
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004447
5-TRIMETHYLSILYLMETHYL-2,3,3A,4,7,7A-HEXAHYDROINDE...
1 spectrum
C13H22OSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.14400
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002484
5-UNDECANONE
1 spectrum
C11H22O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.16707
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007049
53FTA
7 spectra
C8H5F11O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.01138
LC-ESI-QQ; MS
MSBNK-PFOS_research_group-FFF00379
LC-ESI-QQ; MS2; CE10; [M-H]-
MSBNK-PFOS_research_group-FFF00380
LC-ESI-QQ; MS2; CE20; [M-H]-
MSBNK-PFOS_research_group-FFF00381
LC-ESI-QQ; MS2; CE30; [M-H]-
MSBNK-PFOS_research_group-FFF00382
LC-ESI-QQ; MS2; CE40; [M-H]-
MSBNK-PFOS_research_group-FFF00383
LC-ESI-QQ; MS2; CE50; [M-H]-
MSBNK-PFOS_research_group-FFF00384
LC-ESI-QQ; MS2; CE60; [M-H]-
MSBNK-PFOS_research_group-FFF00385
55m2PFOA
2 spectra
C8HF15O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.97369
LC-ESI-QQ; MS2; CE10eV
MSBNK-PFOS_research_group-FFF00370
LC-ESI-QQ; MS2; CE30eV
MSBNK-PFOS_research_group-FFF00371
5?-Cholanic Acid-3?-ol-6-one
3 spectra
C24H38O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.27701
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP007901
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP007902
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP007903
5?-CHOLANIC ACID-3?-OL-6_7-DIONE
3 spectra
C24H36O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
404.25629
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP026901
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP026902
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP026903
5?-CHOLANIC ACID-3?-OL-7_12-DIONE
3 spectra
C24H36O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
404.25629
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP026601
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP026602
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP026603
5?-CHOLANIC ACID-3?_ 12?-DIOL-7-ONE
3 spectra
C24H38O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
406.27191
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP026501
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP026502
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP026503
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL
3 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28760
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP026701
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP026702
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP026703
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL N-(2-SULPHOETHYL)...
3 spectra
C26H45NO7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
515.29169
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP026801
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP026802
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP026803
5`-Deoxy-5`-(methylthio)adenosine
25 spectra
C11H15N5O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.08960
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111013245
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111013391
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111013388
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111013386
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111013395
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111013389
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111013396
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111013387
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111013244
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111013394
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111013248
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111013385
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013247
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013249
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013384
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013399
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111013242
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111013398
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111013241
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111013393
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111013246
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111013392
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111013243
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111013397
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111013390
5ALPHA-ANDROST-1-ENE-3,17-DIONE
1 spectrum
C19H26O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.19327
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011415
5ALPHA-ANDROST-16-EN-3-ONE
1 spectrum
C19H28O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.21402
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002982
5ALPHA-ANDROSTAN-17BETA-OL-3-ONE BENZOATE
1 spectrum
C26H34O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
394.25079
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011421
5ALPHA-ANDROSTANE-3,17-DIONE
1 spectrum
C19H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.20892
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011419
5ALPHA-CHOLEST-3-ENE
1 spectrum
C27H46
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
370.35995
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001889
5ALPHA-CHOLESTAN-3ALPHA-OL
1 spectrum
C27H48O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.37051
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001884
5ALPHA-CHOLESTAN-3BETA-OL (25,26,26,26,27,27,27-D7...
1 spectrum
C27H48O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.37051
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001885
5ALPHA-CHOLESTANE
1 spectrum
C27H48
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
372.37561
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001887
5BETA,9,9,11BETA-TETRAMETHYL-3-PROPIONYL-8ALPHA-TE...
1 spectrum
C20H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.24023
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007304
5HPP-33
18 spectra
C20H21NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.15213
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001093
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001092
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001089
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001094
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001090
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001091
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU024201
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU024251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU024202
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU024252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU024203
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU024253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU024204
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU024254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU024205
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU024255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU024206
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU024256
5mPFOA
5 spectra
C8HF15O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.97369
LC-ESI-QQ; MS2; CE10eV
MSBNK-PFOS_research_group-FFF00352
LC-ESI-QQ; MS2; CE20eV
MSBNK-PFOS_research_group-FFF00353
LC-ESI-QQ; MS2; CE30eV
MSBNK-PFOS_research_group-FFF00354
LC-ESI-QQ; MS2; CE40eV
MSBNK-PFOS_research_group-FFF00355
LC-ESI-QQ; MS2; CE50eV
MSBNK-PFOS_research_group-FFF00356
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