ACCESSION: MSBNK-EPA-ENTACT_AGILENT002273
RECORD_TITLE: 4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0fb9-9000000000-228ffa446f2cca7d9ab1
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39.022927 3.506326 35
  48.983954 1.828524 18
  50.015101 3.175969 31
  51.022927 66.803051 667
  52.018175 1.858242 18
  61.991779 1.613352 16
  66.033826 1.610888 16
  67.041651 1.237856 12
  72.983954 6.696525 66
  76.018175 2.711745 27
  78.033826 99.999997 999
  85.991779 4.101899 40
  113.002678 17.903116 178
  130.005418 1.000396 9
//