MassBank Record: KO003442

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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)

ACCESSION: KO003442
RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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
CH$LINK: COMPTOX DTXSID10185019

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
//