ACCESSION: MSBNK-EPA-ENTACT_AGILENT002354
RECORD_TITLE: 4-Chlororesorcinol; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-002f-7900000000-c66a82c6234de754b155
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  34.969401 12.433342 124
  51.024024 10.429041 104
  60.985051 1.380125 13
  63.024024 3.714464 37
  79.018938 80.445022 803
  107.013853 29.758064 297
  142.990531 100.000002 999
//