ACCESSION: MSBNK-Keio_Univ-KO002591
RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQ; MS2; CE:50 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 C089

CH$NAME: 2-Cyanopyridine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄N₂
CH$EXACT_MASS: 104.03745
CH$SMILES: N#Cc(c1)nccc1
CH$IUPAC: InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H
CH$LINK: CAS 100-70-9
CH$LINK: KEGG C02221
CH$LINK: NIKKAJI J58.011B
CH$LINK: PUBCHEM SID:5286
CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021843

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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 105
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0ufr-9000000000-2250b57a07d49c303d44
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  50.100 59406.0 182
  50.900 311881.5 954
  78.200 326733.0 999
  79.100 34653.5 106
//