ACCESSION: MSBNK-EPA-ENTACT_AGILENT002204
RECORD_TITLE: 4-Propylphenol; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Propylphenol
CH$NAME: DTXSID9022100
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O
CH$EXACT_MASS: 136.0888150051
CH$SMILES: CCCC1=CC=C(O)C=C1
CH$IUPAC: InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
CH$LINK: CAS 645-56-7
CH$LINK: INCHIKEY KLSLBUSXWBJMEC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12580

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 137.0960914568
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-958020e35fbdcfe92d17
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  61.007276 2.9673 29
  63.994366 6.019294 60
  79.017841 99.999999 999
  79.054227 2.751783 27
  81.069877 16.712131 166
  95.085527 4.449233 44
//