ACCESSION: MSBNK-EPA-ENTACT_AGILENT001439
RECORD_TITLE: 3-Chloro-7-hydroxy-4-methyl-2-benzopyrone; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-Chloro-7-hydroxy-4-methyl-2-benzopyrone
CH$NAME: DTXSID8052724
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇ClO₃
CH$EXACT_MASS: 210.0083718002
CH$SMILES: CC1=C(Cl)C(=O)OC2C=C(O)C=CC=21
CH$IUPAC: InChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3
CH$LINK: CAS 6174-86-3
CH$LINK: INCHIKEY ODZHLDRQCZXQFQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5355079

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$FOCUSED_ION: PRECURSOR_M/Z 209.0010953485
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4j-4590000000-c9ac080dae8e5cdab9bd
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  34.969401 45.005731 449
  117.034588 4.531233 45
  145.029503 53.320999 532
  173.024418 4.664332 46
  209.001095 99.999999 999
//