ACCESSION: MSBNK-EPA-ENTACT_AGILENT002134
RECORD_TITLE: Phenolphthalin; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Phenolphthalin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₆O₄
CH$EXACT_MASS: 320.1048589996
CH$SMILES: OC(=O)C1C=CC=CC=1C(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)
CH$LINK: CAS 81-90-3
CH$LINK: INCHIKEY FFFPYJTVNSSLBQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:66494

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$FOCUSED_ION: PRECURSOR_M/Z 319.0975825479
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0090000000-1d85991706098aa80223
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  93.034588 1.244754 12
  181.065888 2.384497 23
  272.084278 2.093882 20
  273.092103 100.000003 999
  274.099928 2.966685 29
  275.107753 2.055965 20
  319.097583 1.048654 10
//