ACCESSION: MSBNK-EPA-ENTACT_AGILENT001436
RECORD_TITLE: 3-Chloro-7-hydroxy-4-methyl-2-benzopyrone; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0fte-7900000000-78dd37f385a4af55af91
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  39.022927 1.689669 16
  41.038577 2.622327 26
  51.022927 10.708677 106
  55.017841 3.761689 37
  63.022927 3.129502 31
  65.038577 37.494545 374
  66.046402 1.443437 14
  68.997106 13.369856 133
  72.983954 1.505394 15
  76.030752 1.059278 10
  77.038577 80.713403 806
  78.046402 4.447917 44
  79.017841 1.576782 15
  79.054227 2.52679 25
  81.033491 1.037854 10
  90.046402 1.188574 11
  91.054227 91.514383 914
  94.041316 2.53022 25
  101.038577 6.945151 69
  102.046402 17.272217 172
  103.054227 53.154085 531
  104.062052 2.22851 22
  105.033491 4.177242 41
  107.049141 4.537806 45
  115.054227 1.566036 15
  119.049141 32.284482 322
  120.056966 12.555829 125
  129.033491 1.642112 16
  131.049141 47.205694 471
  132.056966 6.457085 64
  134.036231 2.151812 21
  137.02332 1.325626 13
  147.044056 100.000003 999
  148.051881 22.119796 220
  149.015254 1.070547 10
  155.025819 5.174688 51
  175.038971 2.099543 20
  211.015648 2.366631 23
//