ACCESSION: MSBNK-EPA-ENTACT_AGILENT000684
RECORD_TITLE: 4-Phenylphenol; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Phenylphenol
CH$NAME: 4-Hydroxybiphenyl
CH$NAME: 4-Hydroxydiphenyl
CH$NAME: P-Phenylphenol
CH$NAME: Biphenyl-4-ol
CH$NAME: P-Hydroxybiphenyl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀O
CH$EXACT_MASS: 170.0731649413
CH$SMILES: OC1C=CC(=CC=1)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
CH$LINK: CAS 92-69-3
CH$LINK: INCHIKEY YXVFYQXJAXKLAK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7103

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$FOCUSED_ION: PRECURSOR_M/Z 169.0658884896
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00kf-9400000000-a9f9467267a535f0ae15
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  39.024024 4.445192 44
  41.003288 9.356471 93
  65.003288 2.035145 20
  65.039674 44.990721 449
  92.026763 7.059735 70
  93.034588 99.999997 999
  93.070974 1.969482 19
  101.039674 11.732679 117
  115.055324 15.925198 159
  117.034588 1.374691 13
  139.055324 1.915645 19
  141.070974 29.197691 291
  143.050238 4.064268 40
  167.050238 1.05372 10
  169.065888 15.378042 153
//