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Name
Formula / Structure
ExactMass
ID
N-Acetylphenylalanine
10 spectra
C11H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.08954
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002198
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000133
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002199
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000134
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002200
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000135
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002201
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000136
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002202
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000137
N-Acetylputrescine
5 spectra
C6H14N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.11061
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002148
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002149
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002150
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002151
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002152
N-alpha-Acetyl-L-ornithine
10 spectra
C7H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10043
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002088
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000057
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002089
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000058
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002090
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000059
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002091
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000060
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002092
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000061
N-alpha-t-Boc-asparagine
5 spectra
C9H16N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.10593
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000356
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000357
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000358
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000359
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000360
N-Carbamylglutamic acid
5 spectra
C6H10N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.05898
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000476
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000477
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000478
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000479
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000480
N-Ethylglutamine
9 spectra
C7H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10043
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000699
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002821
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000700
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002822
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000701
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002823
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000702
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002824
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000703
N-Ethylmaleimide
4 spectra
C6H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.04768
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002830
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002831
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002832
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002833
N-Formyl-L-Methionine
10 spectra
C6H11NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.04596
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002904
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000799
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002905
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000800
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002906
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000801
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002907
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000802
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002908
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000803
N-Formylaspartic acid
5 spectra
C5H7NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.03242
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000774
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000775
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000776
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000777
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000778
N-Glycolylneuraminic acid
10 spectra
C11H19NO10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
325.10089
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003009
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000908
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003010
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000909
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003011
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000910
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003012
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000911
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003013
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000912
n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A...
5 spectra
C37H66N7O17P3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1005.96002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031907
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031908
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031909
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031910
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031911
N-Me-DL-Ala, N-Methyl-DL-Alanine, DL-N-Methylalani...
2 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.12100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031002
N-Methyl-DL-Alanine
8 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003357
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001366
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003358
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001367
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003359
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001368
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003360
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003361
N-Methyl-N-propagylbenzylamine
5 spectra
C11H13N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
159.10480
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003457
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003458
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003459
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003460
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003461
N-Methylaniline
5 spectra
C7H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
107.07350
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003447
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003448
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003449
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003450
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003451
N-Methylanthranilic acid
10 spectra
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06332
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003542
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001482
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003543
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001483
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003544
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001484
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003545
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001485
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003546
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001486
N-Methylglutamic acid
10 spectra
C6H11NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.06882
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003452
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001432
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003453
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001433
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003454
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001434
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003455
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001435
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003456
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001436
N-Methylnicotinate, Trigenolline, Trigenelline, Tr...
3 spectra
C7H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.13800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102603
N-Octanoyl-D-erythro-sphingosine, Octanamide , D-e...
5 spectra
C26H51NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
425.69800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS081701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS081702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS081703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS081704
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS081705
n-Propionyl coenzyme A lithium salt, propionyl-CoA
9 spectra
C24H40N7O17P3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
823.60901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031205
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031206
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031208
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031209
N1-Acetylspermine
5 spectra
C12H28N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.22630
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002263
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002264
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002265
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002266
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002267
N1-methyl-L-histidine
1 spectrum
C7H11N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.18401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000943
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...
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, 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
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