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Name
Formula / Structure
ExactMass
ID
N4-Acetylsulfamethoxazole
26 spectra
C12H13N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.06271
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA029908
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA029958
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA029902
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA029952
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA029909
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA029959
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA029903
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA029953
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA029914
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA029901
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA029951
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA029910
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA029960
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA029904
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA029954
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA029911
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA029961
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA029905
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA029955
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA029912
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA029962
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA029906
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA029956
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA029913
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA029907
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA029957
N4-Acetylsulfathiazole
24 spectra
C11H11N3O3S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.02420
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA024908
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA024902
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA024952
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA024909
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA024959
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA024903
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA024953
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA024914
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA024901
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA024951
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA024910
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA024960
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA024904
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA024911
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA024905
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA024912
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA024906
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA024913
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA024907
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201003
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201004
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201005
N4-Anisoyl-2'-deoxycytidine
10 spectra
C17H19N3O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
361.12738
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81748
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81747
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01754
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01787
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01765
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01793
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01776
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01799
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81746
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81745
N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine...
2 spectra
C15H21N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
335.36401
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT107380
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT207380
N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine...
6 spectra
C15H21N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
335.36401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073803
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073804
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073805
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073806
N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine...
2 spectra
C15H21N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
335.36401
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT100130
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200130
N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine...
6 spectra
C15H21N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
335.36401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001302
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001303
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001304
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001305
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001306
N6-(L-1,3-dicarboxylpropyl)-L-lysine, (2S)-2-[[(5S...
2 spectra
C11H20N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.28900
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT105020
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT205020
N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopi...
7 spectra
C11H20N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.28900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS050201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS050202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS050203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS050204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS050205
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS050206
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS050207
N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosin...
2 spectra
C15H21N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
351.36301
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT103630
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT203630
N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)ad...
6 spectra
C10H13N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.24899
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS003701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS003702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS003703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS003704
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS003705
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS003707
N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)ad...
1 spectrum
C10H13N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.24899
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200370
N6-Isopentenyladenine-7-glucoside
2 spectra
C16H23N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
365.16992
LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+
MSBNK-RIKEN-PR020120
LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+
MSBNK-RIKEN-PR020121
N6-Isopentenyladenine-9-glucoside
3 spectra
C16H23N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
365.16992
LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+
MSBNK-RIKEN-PR020122
LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+
MSBNK-RIKEN-PR020123
LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+
MSBNK-RIKEN-PR020124
N6-Isopentenyladenosine
5 spectra
C15H21N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
335.15939
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP030601
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP030611
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP030602
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP030612
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP030603
N6-Methyl-2'-deoxyadenosine
7 spectra
C11H15N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.11749
LC-ESI-IT; MS2; m/z: 266; [M+H]+
MSBNK-Keio_Univ-KO009042
LC-ESI-IT; MS3; m/z: 266/150; [M+H]+
MSBNK-Keio_Univ-KO009043
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003512
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003513
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003514
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003515
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003516
N6-Methyladenosine
3 spectra
C11H15N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.11240
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP030701
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP030702
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP030703
N6-Threonylcarbamoyladenosine
3 spectra
C15H20N6O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
412.13431
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP030801
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP030802
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP030803
N8-Acetylspermidine
5 spectra
C9H21N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.16846
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002268
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002269
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002270
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002271
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002272
Na,Na-Dimethylhistidine
10 spectra
C8H13N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.10078
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002786
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000669
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002787
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000670
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002788
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000671
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002789
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000672
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002790
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000673
Na-Benzenolarginine ethylester
10 spectra
C15H22N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
306.16919
LC-ESI-IT; MS2; m/z: 307; [M+H]+
MSBNK-Keio_Univ-KO008889
LC-ESI-IT; MS3; m/z: 307/142; [M+H]+
MSBNK-Keio_Univ-KO008892
LC-ESI-IT; MS3; m/z: 307/187; [M+H]+
MSBNK-Keio_Univ-KO008891
LC-ESI-IT; MS3; m/z: 307/247; [M+H]+
MSBNK-Keio_Univ-KO008890
LC-ESI-IT; MS4; m/z: 307/247/144; [M+H]+
MSBNK-Keio_Univ-KO008893
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002478
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002479
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002480
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002481
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002482
Na-Desacetylisoretuline
5 spectra
C19H24N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.41589
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02014
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02015
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02016
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02013
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000132
NAA, Ac-Asp, (2S)-2-acetamidobutanedioic acid, N-A...
2 spectra
C6H9NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.14000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT109970
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT209970
NAA, Ac-Asp, N-Acetylaspartate, N-Acetyl-aspartate...
3 spectra
C6H9NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.14000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS099701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS099702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS099707
NAC, Mucomyst, Inspir, Respaire, Fluatox, N-Acetyl...
1 spectrum
C5H9NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.19600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS030401
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