ACCESSION: MSBNK-Keio_Univ-KO003874
RECORD_TITLE: Picolinamide; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-056s-9700000000-f3bd3ebd3208e068b36b
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  43.100 9901.0 1
  55.100 44554.5 1
  60.200 34653.5 1
  62.000 39604.0 1
  69.500 39604.0 1
  74.000 168317.0 2
  77.400 1133664.5 13
  78.000 86188205.0 999
  80.100 237624.0 3
  96.000 44534698.0 516
  97.000 29703.0 1
  97.800 108911.0 1
  105.500 3079211.0 36
  106.000 74128787.0 859
  108.300 49505.0 1
  110.900 14851.5 1
  123.200 16747541.5 194
  124.200 12009913.0 139
  155.100 14851.5 1
//