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Name
Formula / Structure
ExactMass
ID
2-Methylcyclopent-2-en-1-ol
1 spectrum
C6H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
98.07317
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00646
2-Nitrophenyl octyl ether
2 spectra
C14H21NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
251.15215
FAB-BE; MS; Negative; Matrix 2-Nitrophenyl octyl ether
MSBNK-MSSJ-MSJ00071
FAB-BE; MS; Positive; Matrix 2-Nitrophenyl octyl ether
MSBNK-MSSJ-MSJ00072
3,4-Epoxy-7-octene
2 spectra
C8H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.10447
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00613
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00614
3,8-Diamino-6-phenylphenanthridine
4 spectra
C19H15N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
285.12659
ESI-QQ; MS2; [M+H]+, CID, CE 15 V
MSBNK-MSSJ-MSJ01503
ESI-QQ; MS2; [M+H]+, CID, CE 35 V
MSBNK-MSSJ-MSJ01502
ESI-QQ; MS2; [M+H]+, CID, CE 40 V
MSBNK-MSSJ-MSJ01501
ESI-QQ; MS2; [M+H]+, CID, CE 50 V
MSBNK-MSSJ-MSJ01500
3-((4-Methoxybenzyl)oxy)-2,2-dimethylcycloheptan-1...
2 spectra
C17H24O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.17255
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00611
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00612
3-((4-Methoxybenzyl)oxy)-2,2-dimethylhex-5-enal
2 spectra
C16H22O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
262.15689
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00602
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00603
3-((4-Methoxybenzyl)oxy)-2,2-dimethylhex-5-enol
2 spectra
C16H24O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.17255
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00600
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00601
3-((tert-Butyldimethylsilyl)oxy)-2,2-dimethylpropa...
2 spectra
C11H24O2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.15456
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00597
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00598
3-(4-{[2-(tetradecanoylamino)ethyl]amino}-4-oxobut...
12 spectra
C25H50N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
470.38318
ESI-QTOF; MS2; ESI; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ04121
ESI-QTOF; MS2; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ04122
ESI-QTOF; MS2; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ04123
ESI-QTOF; MS2; ESI; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ04124
ESI-QTOF; MS2; ESI; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ04125
ESI-QTOF; MS2; ESI; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ04126
ESI-QTOF; MS2; ESI; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ04128
ESI-QTOF; MS2; ESI; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ04129
ESI-QTOF; MS2; ESI; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ04130
ESI-QTOF; MS2; ESI; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ04131
ESI-QTOF; MS; ESI
MSBNK-MSSJ-MSJ04120
ESI-QTOF; MS; ESI
MSBNK-MSSJ-MSJ04127
3-(Dibenzo[b,d]thiophen-4-yldimethylsilyl)-N,N-dim...
1 spectrum
C22H23NSSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
361.13205
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ04014
3-(Furan-2-yldimethylsilyl)-N,N-dimethylaniline
1 spectrum
C14H19NOSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
245.12358
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ04013
3-Allyl-2-naphthonitrile
1 spectrum
C14H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
193.08916
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02435
3-Aminobutanoic acid
4 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
GC-EI-TOF; MS; POSITIVE; EI; 70 V; 2TBDMS
MSBNK-MSSJ-MSJ02360
GC-EI-TOF; MS; POSITIVE; EI; 70 V; 2TMS
MSBNK-MSSJ-MSJ02358
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; 2TBDMS
MSBNK-MSSJ-MSJ02361
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; 2TMS
MSBNK-MSSJ-MSJ02359
3-Aminoisobutyric acid
6 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
GC-EI-TOF; MS; POSITIVE; EI; 70 V; 2TBDMS
MSBNK-MSSJ-MSJ02366
GC-EI-TOF; MS; POSITIVE; EI; 70 V; 2TMS
MSBNK-MSSJ-MSJ02362
GC-EI-TOF; MS; POSITIVE; EI; 70 V; 3TMS
MSBNK-MSSJ-MSJ02364
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; 2TBDMS
MSBNK-MSSJ-MSJ02367
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; 2TMS
MSBNK-MSSJ-MSJ02363
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; 3TMS
MSBNK-MSSJ-MSJ02365
3-Ethyl-N-(2-nitrophenyl)aniline
1 spectrum
C14H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.10551
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02423
3-Hexene (cis/trans mixture)
1 spectrum
C6H12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
84.09390
CI-Q; MS; Positive; Reactant ion NO+
MSBNK-MSSJ-MSJ00089
3-Hydroxy-4-keto-gamma-carotene
1 spectrum
C40H54O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
566.41241
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ00106
3-Hydroxy-4-ketoyotulene
1 spectrum
C40H52O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
564.39673
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ00107
3-Hydroxyechinenone
1 spectrum
C40H54O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
566.41241
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 30 V.
MSBNK-MSSJ-MSJ00108
3-Nitrobenzyl alcohol
2 spectra
C7H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.04259
FAB-BE; MS; Negative; Matrix 3-Nitrobenzyl alcohol
MSBNK-MSSJ-MSJ00067
FAB-BE; MS; Positive; Matrix 3-Nitrobenzyl alcohol
MSBNK-MSSJ-MSJ00068
3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid
14 spectra
C32H48O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
512.35016
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00398
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00399
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00400
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00401
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00402
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00403
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00391
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00392
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00393
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00394
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00395
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00396
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00397
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00390
3-O-Acetyl-16alpha-hydroxytrametenolic acid
14 spectra
C32H50O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
514.36584
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00426
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00427
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00428
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00429
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00430
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00431
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00419
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00420
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00421
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00422
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00423
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00424
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00425
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00418
4,4'-Diaponeurosporene
3 spectra
C30H42
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
402.32870
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 10 eV.
MSBNK-MSSJ-MSJ00132
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 15 eV.
MSBNK-MSSJ-MSJ00133
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 20 eV.
MSBNK-MSSJ-MSJ00134
4-(4-{[2-(tetradecanoylamino)ethyl]amino}-4-oxobut...
14 spectra
C26H52N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
484.39883
ESI-QTOF; MS2; ESI; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ04107
ESI-QTOF; MS2; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ04108
ESI-QTOF; MS2; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ04109
ESI-QTOF; MS2; ESI; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ04110
ESI-QTOF; MS2; ESI; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ04111
ESI-QTOF; MS2; ESI; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ04112
ESI-QTOF; MS2; ESI; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ04114
ESI-QTOF; MS2; ESI; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ04115
ESI-QTOF; MS2; ESI; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ04116
ESI-QTOF; MS2; ESI; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ04117
ESI-QTOF; MS2; ESI; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ04118
ESI-QTOF; MS2; ESI; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ04119
ESI-QTOF; MS; ESI
MSBNK-MSSJ-MSJ04106
ESI-QTOF; MS; ESI
MSBNK-MSSJ-MSJ04113
4-(6,6,6-Trifluoro-3-hexyenyl)anisole
1 spectrum
C13H15F3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.10750
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02434
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