ACCESSION: MSBNK-Keio_Univ-KO003873
RECORD_TITLE: Picolinamide; 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 P099

CH$NAME: Picolinamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O
CH$EXACT_MASS: 122.04801
CH$SMILES: NC(=O)c(c1)nccc1
CH$IUPAC: InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
CH$LINK: CAS 1452-77-3
CH$LINK: CHEBI 8200
CH$LINK: KEGG C01950
CH$LINK: NIKKAJI J27.993E
CH$LINK: PUBCHEM SID:5053
CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061703

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$FOCUSED_ION: PRECURSOR_M/Z 123
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-0900000000-9db3d1e90256b67fa9e9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  40.700 128713.0 1
  50.800 44554.5 1
  51.700 44554.5 1
  55.200 1381189.5 5
  59.000 247525.0 1
  62.600 39604.0 1
  69.100 59406.0 1
  69.300 14851.5 1
  73.200 321782.5 1
  73.700 198020.0 1
  77.400 54455.5 1
  78.000 1985150.5 7
  87.000 143564.5 1
  87.900 54455.5 1
  91.100 113861.5 1
  96.000 2599012.5 9
  104.900 2940597.0 10
  106.000 40450535.5 133
  123.100 304495354.0 999
  124.200 12361398.5 41
  126.200 24752.5 1
//