MassBank Record: KO003443



 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003443
RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-1900000000-e500f262d42edb9b3ad7 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 52.800 19802.0 1 60.100 113861.5 1 64.900 29703.0 1 66.800 207921.0 1 70.200 79208.0 1 72.700 14851.5 1 74.400 19802.0 1 77.200 128713.0 1 78.000 1500001.5 7 79.300 39604.0 1 80.000 430693.5 2 80.500 19802.0 1 82.300 29703.0 1 84.300 39604.0 1 92.100 9594069.0 46 93.200 514852.0 2 94.100 26232699.5 126 95.000 49505.0 1 96.300 341584.5 2 106.100 1237625.0 6 108.100 1470298.5 7 109.100 440594.5 2 110.100 2321784.5 11 119.300 504951.0 2 119.900 1386140.0 7 135.200 138614.0 1 137.200 208341792.5 999 138.100 405941.0 2 //