ACCESSION: MSBNK-EPA-ENTACT_AGILENT000571
RECORD_TITLE: 4-Phenoxyphenol; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Phenoxyphenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀O₂
CH$EXACT_MASS: 186.0680795636
CH$SMILES: OC1C=CC(=CC=1)OC1C=CC=CC=1
CH$IUPAC: InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
CH$LINK: CAS 831-82-3
CH$LINK: INCHIKEY ZSBDGXGICLIJGD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13254

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$FOCUSED_ION: PRECURSOR_M/Z 185.0608031119
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0900000000-3c03d0a79f8dd9cdb8c8
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  93.034588 2.354714 23
  108.021678 100 999
  108.058063 2.113041 21
//