ACCESSION: MSBNK-EPA-ENTACT_AGILENT000523
RECORD_TITLE: Tetrachlorocatechol; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tetrachlorocatechol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₂Cl₄O₂
CH$EXACT_MASS: 245.8808901484
CH$SMILES: OC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1O
CH$IUPAC: InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
CH$LINK: CAS 1198-55-6
CH$LINK: INCHIKEY RRBMVWQICIXSEO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14537

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$FOCUSED_ION: PRECURSOR_M/Z 244.8736136967
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0090000000-545c2201cad5e7e202ba
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  34.969401 5.457047 54
  208.896936 9.223956 92
  244.873614 100.000001 999
//