MassBank Record: KO003446



 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003446
RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00ou-9000000000-2fe6c195129f32a62a3c PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 39.300 217822.0 31 41.000 668317.5 94 42.100 410891.5 58 43.800 128713.0 18 51.100 970298.0 137 52.000 915842.5 129 53.000 1346536.0 190 63.100 24752.5 3 65.200 4331687.5 611 66.000 2297032.0 324 66.900 1757427.5 248 68.000 212871.5 30 76.200 49505.0 7 77.100 435644.0 61 78.100 6569313.5 927 78.900 7079215.0 999 80.100 1430694.5 202 92.100 2866339.5 404 93.300 2207923.0 312 94.200 2247527.0 317 96.400 391089.5 55 110.100 138614.0 20 118.300 24752.5 3 119.000 29703.0 4 137.300 29703.0 4 //