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Name
Formula / Structure
ExactMass
ID
1-Aminocyclopropane-1-carboxylic acid
3 spectra
C4H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
101.04768
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010007
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100012
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100488
1-Decanoyl-2-hydroxy-sn-glycero-3-phosphocholine
1 spectrum
[C18H39NO7P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
412.24640
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100341
1-Isothiocyanato-4-(methylsulfinyl)-butane
21 spectra
C6H11NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.28999
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303471
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303472
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303473
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303474
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303475
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303476
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303477
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303478
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303479
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303480
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303481
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303482
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307216
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307218
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307221
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307223
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307226
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307228
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307230
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309430
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310456
1-Isothiocyanato-6-(methylsulfinyl)-hexane
1 spectrum
C8H15NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.05951
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101036
1-Isothiocyanato-6-(methylsulfonyl)-hexane
1 spectrum
C8H15NO2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.05441
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101039
1-Isothiocyanato-7-(methylsulfinyl)-heptane
1 spectrum
C9H17NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.07516
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101035
1-isothiocyanato-7-methanesulfinylheptane
1 spectrum
C9H17NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.37100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310895
1-Isothiocyanato-8-(methylsulfinyl)-octane
1 spectrum
C10H19NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
233.09081
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101038
1-isothiocyanato-8-methanesulfinyloctane
1 spectrum
C10H19NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
233.39799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310887
1-Isothiocyanato-9-(methylsulfinyl)-nonane
1 spectrum
C11H21NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.10646
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101037
1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine
2 spectra
C20H42NO7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
439.26990
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100340
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100785
1-Methoxy-3-carbaldehyde
2 spectra
C10H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.06332
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101044
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100987
1-Methyl-2-pyridinium aldoxime
2 spectra
[C7H9N2O]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.07149
LC-ESI-QTOF; MS2; CE:30 V; [M]+
MSBNK-RIKEN-PR100195
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100194
1-Methylhistamine
2 spectra
C6H11N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.09530
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010124
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100078
1-Methylnicotinamide
2 spectra
[C7H9N2O]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.07149
LC-ESI-QTOF; MS2; CE:30 V; [M]+
MSBNK-RIKEN-PR100412
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100411
1-Methylsulfinylbutenyl isothiocyante
25 spectra
C6H9NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.27400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303459
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303460
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303461
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303462
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303463
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303464
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303465
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303466
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303467
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303468
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303469
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303470
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307173
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307177
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307181
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307185
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307188
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307192
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307196
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307204
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307208
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307212
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308766
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310458
1-Myristoyl-2-hydroxy-sn-glycero-3-phosphate
1 spectrum
C17H35O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
382.21204
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100784
1-O-beta-D-Glucopyranosyl sinapate
2 spectra
C17H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.12131
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101056
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR101004
11,12-Methylenedioxykopsinaline
13 spectra
C22H26N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
398.45901
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300061
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300066
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300071
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300076
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300081
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300086
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300091
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300096
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300106
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300111
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300116
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310633
12-Cytisineacetamide
13 spectra
C13H17N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.29800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301267
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301271
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301275
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301279
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301283
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301287
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301291
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301295
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301298
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301302
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301306
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301309
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310538
12:4+3O fatty acyl hexoside
2 spectra
C18H28O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.41299
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309339
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309340
12:4+4O fatty acyl hexoside
1 spectrum
C18H28O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
404.41199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309338
13:4+4O fatty acyl hexoside
1 spectrum
C19H28O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.42300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309341
14,15-Dehydro-16-epi-vincamine
26 spectra
C21H24N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.43399
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300298
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300302
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300304
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300306
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300308
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300310
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300312
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300314
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300316
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300318
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300320
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304640
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304643
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304646
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304649
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304652
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304655
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304658
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304661
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304664
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304667
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304670
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304673
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308867
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310601
16-Hydroxyhexadecanoic acid
2 spectra
C16H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.23514
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010091
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100487
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