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Compound Name:
N
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Name
Formula / Structure
ExactMass
ID
N-ACETYLGLYCYLPHENYLALANYLALANINE METHYL ESTER
1 spectrum
C17H23N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
349.16376
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007606
N-ACETYLGLYCYLPHENYLALANYLGLYCINE METHYL ESTER
1 spectrum
C16H21N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
335.14813
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007604
N-Acetylhistidine
10 spectra
C8H11N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
197.08005
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002218
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000143
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002219
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000144
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002220
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000145
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002221
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000146
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002222
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000147
N-Acetylindole
4 spectra
C10H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
159.06841
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB000491
LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
MSBNK-IPB_Halle-PB000492
LC-ESI-QTOF; MS2; CE:35 eV; [M+H]+
MSBNK-IPB_Halle-PB000493
LC-ESI-QTOF; MS2; CE:45 eV; [M+H]+
MSBNK-IPB_Halle-PB000494
N-ACETYLLEUCINE
3 spectra
C8H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.10519
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101801_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101801_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101801_FB57
N-ACETYLMANNOSAMINE
3 spectra
C8H15NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.08990
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101906_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101906_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101906_FB57
N-Acetylmethionine
10 spectra
C7H13NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
191.06161
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002193
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000128
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002194
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000129
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002195
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000130
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002196
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000131
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002197
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000132
N-ACETYLMETHIONINE ETHYL ESTER
1 spectrum
C9H17NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.09291
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005252
N-ACETYLMETHIONINE METHYL ESTER
2 spectra
C8H15NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.07726
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005521
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007627
N-Acetylmuramic acid
10 spectra
C11H19NO8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
293.11108
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002363
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000287
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002364
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000288
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002365
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000289
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002366
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000290
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002367
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000291
N-ACETYLNEURAMINATE
3 spectra
C11H19NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
309.10599
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102102_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102102_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102103_FB57
N-Acetylneuraminic acid
16 spectra
C11H19NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
309.10599
GC-EI-TOF; MS; n TMS; RT:977.256 sec
MSBNK-Osaka_Univ-OUF00373
GC-EI-TOF; MS; n TMS; RT:987.339 sec
MSBNK-Osaka_Univ-OUF00374
LC-ESI-IT; MS2; m/z: 310; [M+H]+
MSBNK-Keio_Univ-KO008824
LC-ESI-IT; MS3; m/z: 310/274; [M+H]+
MSBNK-Keio_Univ-KO008825
LC-ESI-IT; MS3; m/z: 310/292; [M+H]+
MSBNK-Keio_Univ-KO008826
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002068
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000034
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002069
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000035
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002070
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000036
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002071
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000037
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002072
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000038
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100695
N-Acetylneuraminic acid methyl ester 1
3 spectra
C12H21NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.12164
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81757
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81756
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81755
N-ACETYLPHENYLALANINE
3 spectra
C11H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.08949
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102202_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102203_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102203_FB57
N-Acetylphenylalanine
14 spectra
C11H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.08954
LC-ESI-IT; MS2; m/z: 208; [M+H]+
MSBNK-Keio_Univ-KO008852
LC-ESI-IT; MS3; m/z: 208/162; [M+H]+
MSBNK-Keio_Univ-KO008854
LC-ESI-IT; MS3; m/z: 208/166; [M+H]+
MSBNK-Keio_Univ-KO008853
LC-ESI-IT; MS4; m/z: 208/162/120; [M+H]+
MSBNK-Keio_Univ-KO008855
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-ACETYLPHENYLALANINE METHYL ESTER
2 spectra
C12H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.10519
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005522
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007626
N-ACETYLPROLINE
3 spectra
C7H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
157.07390
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102301_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102301_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102301_FB57
N-Acetylputrescine
9 spectra
C6H14N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.11061
GC-EI-TOF; MS; 2 TMS; BP:174
MSBNK-Kazusa-KZ000250
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010223
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010224
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
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100276
N-ACETYLSERINE
2 spectra
C5H9NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.05321
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102504_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102503_EF88
N-ACETYLSERINE METHYL ESTER
2 spectra
C6H11NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.06882
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005520
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007628
N-Acetylsolasodine
12 spectra
C29H45NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
455.68301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300603
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300608
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300613
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300618
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300623
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300627
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300632
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300637
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300642
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300647
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300652
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310419
N-ACETYLTRYPTOPHAN
1 spectrum
C13H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.10040
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102701_FB57
N-ACETYLVALYLALANYLGLYCINE METHYL ESTER
1 spectrum
C13H23N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
301.16376
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007601
N-ACETYLVALYLGLYCYLALANINE METHYL ESTER
1 spectrum
C13H23N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
301.16376
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007608
N-ACETYLVALYLGLYCYLGLYCYLVALINE METHYL ESTER
1 spectrum
C17H30N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.21652
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007600
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