ACCESSION: MSBNK-EPA-ENTACT_AGILENT002275
RECORD_TITLE: 4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Chloropyridine 1-oxide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₄ClNO
CH$EXACT_MASS: 128.9981414673
CH$SMILES: [O-][N+]1C=CC(Cl)=CC=1
CH$IUPAC: InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
CH$LINK: CAS 1121-76-2
CH$LINK: INCHIKEY DPJVRASYWYOFSJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:70724

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 130.005417919
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03e9-1900000000-7e64cceafd8b4e51fa54
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  39.022927 1.189434 11
  51.022927 2.051803 20
  66.033826 2.074794 20
  67.041651 1.860513 18
  78.033826 21.849351 218
  94.02874 1.509647 15
  111.994853 2.489738 24
  113.002678 99.999995 999
  130.005418 72.091652 720
//