ACCESSION: MSBNK-EPA-ENTACT_AGILENT002135
RECORD_TITLE: Phenolphthalin; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00di-0190000000-457a7926745a4e9d5174
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  93.034588 11.842761 118
  153.070974 1.007046 10
  179.050238 4.097994 40
  180.058063 19.324272 193
  181.065888 3.348442 33
  195.045153 8.19425 81
  196.052978 13.444375 134
  197.060803 1.375639 13
  205.065888 4.075318 40
  227.086624 1.629878 16
  230.073714 1.482087 14
  231.081539 1.945159 19
  243.081539 9.160632 91
  244.089364 5.039775 50
  245.097189 11.009063 109
  271.076453 8.429755 84
  272.084278 100.000002 999
  273.092103 85.147681 850
  274.099928 2.526093 25
//