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Name
Formula / Structure
ExactMass
ID
(S)-Citronellyl benzyl ether
2 spectra
C17H26O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.19836
GC-EI-BE; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00551
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00552
(S)-Citronellyl pivalate
2 spectra
C15H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.20892
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00571
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00572
(S)-Octa-1,7-dien-4-ol
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-MSJ02074
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ02075
1,2-Bis(p-(2-hydroxyethoxycarbonyl)benzoyloxy)etha...
4 spectra
C22H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.12131
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00197
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 25 V
MSBNK-MSSJ-MSJ00198
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00199
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00196
1,3,5-Trimethylbenzene
1 spectrum
C9H12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.09390
CI-Q; MS; POSITIVE; Reactant ion NO+
MSBNK-MSSJ-MSJ00091
1,6-Di(Cyanoguanidino)hexane
14 spectra
C10H18N8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.16541
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ02204
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ02205
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ02206
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ02207
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ02208
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ02209
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02197
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02198
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02199
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02200
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02201
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02202
ESI-QTOF; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ02203
ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02196
1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine
10 spectra
C26H52NO7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
521.34808
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; HAD
MSBNK-MSSJ-MSJ00179
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; Low-energy CID
MSBNK-MSSJ-MSJ00180
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00183
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00184
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00185
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00187
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00191
MALDI-QITTOF; MS3; POSITIVE; [M+H+O]+; Low-energy CID
MSBNK-MSSJ-MSJ00188
MALDI-QITTOF; MS3; POSITIVE; [M+H+O]+; Low-energy CID
MSBNK-MSSJ-MSJ00192
MALDI-QITTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00178
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-...
1 spectrum
C44H80NO8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
781.56219
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00189
1-Hexene
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-MSJ00088
1-Octadecanoyl-sn-glycero-3-phosphocholine
2 spectra
C26H54NO7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
523.36377
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00186
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00190
1-Stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
1 spectrum
C44H86NO8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
787.60907
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; HAD
MSBNK-MSSJ-MSJ00181
2,2'-Dithiodiethanol
2 spectra
C4H10O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.01222
FAB-BE; MS; Negative; Matrix 2,2'-Dithiodiethanol
MSBNK-MSSJ-MSJ00069
FAB-BE; MS; Positive; Matrix 2,2'-Dithiodiethanol
MSBNK-MSSJ-MSJ00070
2,2'-Methylenebis[6-(1-methylcyclohexyl)-p-cresol]
7 spectra
C29H40O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
420.30283
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00778
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00779
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00780
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00781
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00782
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00783
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00777
2,3-Dimethylcyclopent-2-en-1-ol
1 spectrum
C7H12O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
112.08882
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00643
2,3-Dimethylhepta-1,6-dien-3-ol
2 spectra
C9H16O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
140.12012
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00639
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00640
2,4,5-T-butyl
1 spectrum
C12H13Cl3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
309.99304
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01035
2,5-Heptanedione
2 spectra
C7H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
128.08372
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00641
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00642
2,6-Cyclolycopene-1,5-diol
1 spectrum
C40H58O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.44373
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ00105
2-(4-Chlorophenyl)ethylamine
9 spectra
C8H10ClN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.05017
ESI-QQ; MS; POSITIVE
MSBNK-MSSJ-MSJ00518
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00523
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00524
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00525
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00526
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00519
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00520
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00521
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00522
2-(4-Fluorophenyl)ethylamine
9 spectra
C8H10FN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.07973
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00509
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00514
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00515
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00516
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00517
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00510
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00511
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00512
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00513
2-(4-Methoxyphenyl)ethylamine
9 spectra
C9H13NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.09972
ESI-QQ; MS; POSITIVE
MSBNK-MSSJ-MSJ00492
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00497
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00498
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00499
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00500
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00493
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00494
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00495
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00496
2-(4-Methylphenyl)ethylamine
8 spectra
C9H13N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.10480
ESI-QQ; MS; POSITIVE
MSBNK-MSSJ-MSJ00501
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00505
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00506
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00507
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00508
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00502
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00503
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00504
2-(4-Nitrophenyl)ethylamine
11 spectra
C8H10N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.07422
ESI-QQ; MS; POSITIVE
MSBNK-MSSJ-MSJ00538
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00544
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00545
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00546
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00547
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 50 V
MSBNK-MSSJ-MSJ00548
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00539
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00540
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00541
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00542
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00543
2-(4-Trifluoromethylphenyl)ethylamine
11 spectra
C9H10F3N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.07652
ESI-QQ; MS; POSITIVE
MSBNK-MSSJ-MSJ00527
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00533
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00534
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00535
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00536
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 50 V
MSBNK-MSSJ-MSJ00537
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00528
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00529
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00530
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00531
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00532
2-(octan-2-yl)tetrahydrothiophene
2 spectra
C12H24S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.15987
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02103
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02104
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