ACCESSION: MSBNK-EPA-ENTACT_AGILENT000816
RECORD_TITLE: 2,4,4'-Trihydroxybenzophenone; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,4,4'-Trihydroxybenzophenone
CH$NAME: DTXSID8044836
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀O₄
CH$EXACT_MASS: 230.0579088082
CH$SMILES: OC1C=C(O)C(=CC=1)C(=O)C1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H
CH$LINK: CAS 1470-79-7
CH$LINK: INCHIKEY OKJFKPFBSPZTAH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:73852

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$FOCUSED_ION: PRECURSOR_M/Z 229.0506323565
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000f-9620000000-6785283238fafe65406d
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  41.003288 2.24346 22
  65.003288 1.260087 12
  91.018938 66.377968 663
  91.055324 1.893556 18
  93.034588 86.615764 865
  93.070974 2.505429 25
  109.029503 7.806879 77
  117.034588 2.500455 24
  135.008768 100.000002 999
  143.050238 1.173395 11
  157.065888 1.066808 10
  184.052978 1.165062 11
  185.060803 9.760834 97
  187.040068 1.104309 11
  229.050632 39.388575 393
//