MassBank Record: MSBNK-EPA-ENTACT_AGILENT002447

4-Chlorophthalic acid; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002447
RECORD_TITLE: 4-Chlorophthalic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 4-Chlorophthalic acid
CH$NAME: DTXSID0044442
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₅ClO₄
CH$EXACT_MASS: 199.9876363587
CH$SMILES: OC(=O)C1=CC=C(Cl)C=C1C(O)=O
CH$IUPAC: InChI=1S/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
CH$LINK: CAS 89-20-3
CH$LINK: INCHIKEY DVIPPHSQIBKWSA-UHFFFAOYSA-N

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 198.980359907
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-03di-1900000000-01b6e91c5904f24f47b8
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  34.969401 20.328693 203
  111.000701 99.999996 999
  154.990531 5.574549 55
//