MassBank Record: MSBNK-Keio_Univ-KO003724

Pyridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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ACCESSION: MSBNK-Keio_Univ-KO003724
RECORD_TITLE: Pyridine; 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 P041

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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

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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

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

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PK$SPLASH: splash10-001i-9000000000-986d33ce2700df9c77c1
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  39.100 99010.0 12
  77.400 103960.5 12
  80.200 8371295.5 999
//