ACCESSION: MSBNK-EPA-ENTACT_AGILENT002203
RECORD_TITLE: 4-Propylphenol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-01t9-9000000000-6eb44a86362030c8da0e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  41.038577 2.065652 20
  43.054227 1.523067 15
  61.007276 13.139873 131
  62.015101 3.715189 37
  63.994366 42.459949 424
  67.054227 1.298637 12
  69.069877 1.423666 14
  79.017841 99.999999 999
  79.054227 6.147624 61
  81.069877 18.000797 179
  95.085527 2.571659 25
//