ACCESSION: MSBNK-EPA-ENTACT_AGILENT002353
RECORD_TITLE: 4-Chlororesorcinol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Chlororesorcinol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClO₂
CH$EXACT_MASS: 143.9978071141
CH$SMILES: OC1C=C(O)C(Cl)=CC=1
CH$IUPAC: InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
CH$LINK: CAS 95-88-5
CH$LINK: INCHIKEY JQVAPEJNIZULEK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1731

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

MS$FOCUSED_ION: PRECURSOR_M/Z 142.9905306624
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0fb9-9000000000-3c4435321b569ff3e5b6
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  34.969401 24.941852 249
  41.003288 1.663634 16
  51.024024 71.558098 714
  59.013853 1.281291 12
  60.985051 3.493445 34
  63.024024 9.623145 96
  65.003288 2.108927 21
  79.018938 100.000001 999
  99.000701 1.172992 11
  107.013853 5.789132 57
  142.990531 5.387276 53
//