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MassBank Record: KO003726

Pyridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003726
RECORD_TITLE: Pyridine; LC-ESI-QQ; MS2; CE:40 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 P041

CH$NAME: Pyridine
CH$NAME: Azabenzene
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H5N
CH$EXACT_MASS: 79.04220
CH$SMILES: c(c1)ccnc1
CH$IUPAC: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
CH$LINK: CAS 110-86-1
CH$LINK: CHEBI 16227
CH$LINK: KEGG C00747
CH$LINK: NIKKAJI J2.883E
CH$LINK: PUBCHEM SID:4009
CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021924

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 80
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9000000000-01968b84d7dd3f9574e3
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  53.200 118812.0 300
  77.800 49505.0 125
  80.200 396040.0 999
  185.900 14851.5 37
//

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