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Name
Formula / Structure
ExactMass
ID
N-Methyldodecylamine
10 spectra
C13H29N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
199.23000
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA410101AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA410103B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA410105070APH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA4101213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA4101237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA410125AF82PH
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285003
LC-ESI-QTOF; MS2; CE: Ramp 18.0-27.0 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285006
N-Methylethanolamine
4 spectra
C3H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
75.06841
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002358
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002360
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002359
GC-EI-TOF; MS; n TMS; RT:302.501 sec
MSBNK-Osaka_Univ-OUF00391
N-METHYLFLINDERSINE
1 spectrum
C15H15NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
241.11028
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004572
N-METHYLFORMAMIDE
1 spectrum
C2H5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
59.03711
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006295
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-Methylhydrazinecarbothioamide
6 spectra
C2H7N3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
105.03607
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001276
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001275
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001274
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001271
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001273
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001272
N-Methylisothebainium
1 spectrum
[C20H24NO3]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.41919
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000121
N-methylnicotinate
1 spectrum
C7H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.04770
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-MetaboLights-ML005201
N-Methylnicotinate, Trigenolline, Trigenelline, Tr...
2 spectra
C7H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.13800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT110260
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT110263
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-Methyloctan-1-amine
3 spectra
C9H21N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
143.16740
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000955
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000957
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000956
N-methylperfluorooctane sulfonamidoacetic acid
2 spectra
C11H6F17NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.97461
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA292053
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA292051
N-methylperfluorooctane sulfonamidoacetic acid (N-...
4 spectra
C11H6F17NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.97461
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU593950
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU593951
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU593952
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU593953
N-Methylpregabalin
11 spectra
C9H19NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.14159
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01152007
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01152001
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01152051
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag-EQ01152008
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01152002
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01152052
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01152003
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag-EQ01152053
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01152004
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01152005
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01152006
N-METHYLPYRROLE
1 spectrum
C5H7N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
81.05785
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001626
N-Methylserotonin
2 spectra
C11H14N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.11061
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81812
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81810
N-METHYLSUCCINIMIDE
1 spectrum
C5H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
113.04768
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008271
N-N-BUTYLCYCLOHEXYLAMINE
1 spectrum
C10H21N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.16740
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003607
N-NITROSO DICYCLOHEXYLAMINE
1 spectrum
C12H22N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.17320
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002948
N-Nitrosobis(2-oxopropyl)amine
3 spectra
C6H10N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.06914
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000764
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000763
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000765
N-Nitrosodibutylamine (NDBA)
6 spectra
C8H18N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.14191
LC-ESI-QFT; MS2; CE: 15; R=70000; [M+H]+
MSBNK-Eawag-EQ346001
LC-ESI-QFT; MS2; CE: 30; R=70000; [M+H]+
MSBNK-Eawag-EQ346002
LC-ESI-QFT; MS2; CE: 45; R=70000; [M+H]+
MSBNK-Eawag-EQ346003
LC-ESI-QFT; MS2; CE: 60; R=70000; [M+H]+
MSBNK-Eawag-EQ346004
LC-ESI-QFT; MS2; CE: 75; R=70000; [M+H]+
MSBNK-Eawag-EQ346005
LC-ESI-QFT; MS2; CE: 90; R=70000; [M+H]+
MSBNK-Eawag-EQ346006
N-NITROSODICYCLOHEXYLAMINE
1 spectrum
C12H22N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.17320
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008270
N-Nitrosodiethylamine (NDEA)
6 spectra
C4H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.07931
LC-ESI-QFT; MS2; CE: 15; R=70000; [M+H]+
MSBNK-Eawag-EQ345201
LC-ESI-QFT; MS2; CE: 30; R=70000; [M+H]+
MSBNK-Eawag-EQ345202
LC-ESI-QFT; MS2; CE: 45; R=70000; [M+H]+
MSBNK-Eawag-EQ345203
LC-ESI-QFT; MS2; CE: 60; R=70000; [M+H]+
MSBNK-Eawag-EQ345204
LC-ESI-QFT; MS2; CE: 75; R=70000; [M+H]+
MSBNK-Eawag-EQ345205
LC-ESI-QFT; MS2; CE: 90; R=70000; [M+H]+
MSBNK-Eawag-EQ345206
N-Nitrosodimethylamine (NDMA)
6 spectra
C2H6N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
74.04801
LC-ESI-QFT; MS2; CE: 15; R=70000; [M+H]+
MSBNK-Eawag-EQ344701
LC-ESI-QFT; MS2; CE: 30; R=70000; [M+H]+
MSBNK-Eawag-EQ344702
LC-ESI-QFT; MS2; CE: 45; R=70000; [M+H]+
MSBNK-Eawag-EQ344703
LC-ESI-QFT; MS2; CE: 60; R=70000; [M+H]+
MSBNK-Eawag-EQ344704
LC-ESI-QFT; MS2; CE: 75; R=70000; [M+H]+
MSBNK-Eawag-EQ344705
LC-ESI-QFT; MS2; CE: 90; R=70000; [M+H]+
MSBNK-Eawag-EQ344706
N-Nitrosodiphenylamine
6 spectra
C12H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.07932
LC-ESI-QFT; MS2; CE: 15; R=70000; [M+H]+
MSBNK-Eawag-EQ335501
LC-ESI-QFT; MS2; CE: 30; R=70000; [M+H]+
MSBNK-Eawag-EQ335502
LC-ESI-QFT; MS2; CE: 45; R=70000; [M+H]+
MSBNK-Eawag-EQ335503
LC-ESI-QFT; MS2; CE: 60; R=70000; [M+H]+
MSBNK-Eawag-EQ335504
LC-ESI-QFT; MS2; CE: 75; R=70000; [M+H]+
MSBNK-Eawag-EQ335505
LC-ESI-QFT; MS2; CE: 90; R=70000; [M+H]+
MSBNK-Eawag-EQ335506
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