MassBank Record: KO003445



 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003445
RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M063

CH$NAME: 1-Methylnicotinamide CH$COMPOUND_CLASS: Natural Product CH$FORMULA: [C7H9N2O]+ CH$EXACT_MASS: 137.07149 CH$SMILES: NC(=O)c(c1)c[n+1](C)cc1 CH$IUPAC: InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 CH$LINK: CAS 3106-60-3 CH$LINK: CHEBI 16797 CH$LINK: KEGG C02918 CH$LINK: NIKKAJI J66.624F CH$LINK: PUBCHEM SID:5841 CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-002f-9000000000-a17b3a63979577f6fa9e PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 39.100 84158.5 4 41.100 539604.5 26 42.200 460396.5 22 44.000 252475.5 12 45.100 24752.5 1 51.200 603961.0 29 52.100 297030.0 14 53.100 2861389.0 135 54.200 49505.0 2 56.300 24752.5 1 65.100 7346542.0 348 66.100 1584160.0 75 66.900 4693074.0 222 68.100 574258.0 27 68.900 14851.5 1 76.600 89109.0 4 77.100 1351486.5 64 78.000 19970317.0 945 79.100 9440603.5 447 80.200 2940597.0 139 82.100 113861.5 5 84.000 19802.0 1 84.800 19802.0 1 90.100 54455.5 3 91.200 84158.5 4 92.100 13787142.5 653 93.200 7272284.5 344 94.100 21103981.5 999 94.900 103960.5 5 96.100 1806932.5 86 103.200 79208.0 4 103.400 19802.0 1 106.300 247525.0 12 108.000 272277.5 13 109.100 99010.0 5 110.300 1282179.5 61 112.300 29703.0 1 118.200 49505.0 2 118.900 425743.0 20 120.800 39604.0 2 134.900 49505.0 2 137.200 1059407.0 50 //