ACCESSION: MSBNK-EPA-ENTACT_AGILENT000896
RECORD_TITLE: 4-Hydroxyphenyl benzoate; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Hydroxyphenyl benzoate
CH$NAME: DTXSID9051905
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀O₃
CH$EXACT_MASS: 214.0629941859
CH$SMILES: OC1C=CC(=CC=1)OC(=O)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C13H10O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9,14H
CH$LINK: CAS 2444-19-1
CH$LINK: INCHIKEY JFAXJRJMFOACBO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:75549

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$FOCUSED_ION: PRECURSOR_M/Z 213.0557177342
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0900000000-7e17c2fe8c51d32f6b16
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  77.039674 1.650746 16
  108.021678 99.999999 999
  108.058063 2.36284 23
//