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MassBank Record: KO002587

2-Cyanopyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002587
RECORD_TITLE: 2-Cyanopyridine; 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 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 10 V

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

PK$SPLASH: splash10-0udi-3900000000-d81424b8a7418f418e48
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  40.900 737624.5 39
  46.100 242574.5 13
  55.100 4232677.5 226
  69.100 64356.5 3
  73.100 103960.5 6
  78.400 19802.0 1
  88.300 861387.0 46
  95.300 14851.5 1
  104.900 18717840.5 999
//

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