ACCESSION: MSBNK-EPA-ENTACT_AGILENT000814
RECORD_TITLE: 2,4,4'-Trihydroxybenzophenone; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-004i-1490000000-a4b54ae6d664756a3f23
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  91.018938 4.987047 49
  93.034588 14.689955 146
  109.029503 1.064859 10
  135.008768 48.784179 487
  185.060803 1.038052 10
  229.050632 100.000003 999
//