MassBank Record: MSBNK-EPA-ENTACT_AGILENT000524
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000524
RECORD_TITLE: Tetrachlorocatechol; ESI-QTOF; MS2; CE: 40; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 244.8736136967
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-001i-9000000000-8e659a30b88a9a5650ba
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
34.969401 100.000003 999
//