MassBank Record: KO003442



 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003442
RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-9c3104d60f21f6375b0c PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 41.200 54455.5 1 55.000 341584.5 1 58.500 24752.5 1 60.200 79208.0 1 63.300 44554.5 1 69.800 24752.5 1 72.900 143564.5 1 75.200 74257.5 1 75.900 89109.0 1 76.900 252475.5 1 78.200 113861.5 1 78.900 39604.0 1 80.700 19802.0 1 83.200 202970.5 1 86.800 103960.5 1 87.500 39604.0 1 88.600 34653.5 1 91.800 297030.0 1 94.100 925743.5 2 101.900 108911.0 1 104.900 3420795.5 8 106.600 79208.0 1 108.100 64356.5 1 109.900 148515.0 1 119.400 183168.5 1 119.900 816832.5 2 137.100 413990513.0 999 138.000 59406.0 1 //