ACCESSION: MSBNK-EPA-ENTACT_AGILENT000213
RECORD_TITLE: 4-(4-Hydroxyphenyl)butan-2-one; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-(4-Hydroxyphenyl)butan-2-one
CH$NAME: DTXSID5044495
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.0837296274
CH$SMILES: CC(=O)CCC1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
CH$LINK: CAS 5471-51-2
CH$LINK: INCHIKEY NJGBTKGETPDVIK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21648

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$FOCUSED_ION: PRECURSOR_M/Z 163.0764531757
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-7e36090bc51ab47f780c
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  41.003288 6.82751 68
  57.034588 100.000001 999
  57.070974 1.078828 10
  91.018938 1.916021 19
//