ACCESSION: MSBNK-EPA-ENTACT_AGILENT001437
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 211.0156482519
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03e9-0980000000-d991fa32bec191adf74e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  65.038577 1.009717 10
  68.997106 1.812725 18
  77.038577 1.696253 16
  91.054227 1.248176 12
  103.054227 13.055955 130
  119.049141 7.522086 75
  131.049141 34.528406 344
  132.056966 24.326667 243
  147.044056 6.24126 62
  148.051881 13.880315 138
  155.025819 5.615229 56
  167.025819 1.436352 14
  175.038971 4.461209 44
  176.046796 1.3311 13
  211.015648 100 999
//