ACCESSION: MSBNK-EPA-ENTACT_AGILENT002314
RECORD_TITLE: 4-Isopropylphenol; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Isopropylphenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O
CH$EXACT_MASS: 136.0888150051
CH$SMILES: CC(C)C1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
CH$LINK: CAS 99-89-8
CH$LINK: INCHIKEY YQUQWHNMBPIWGK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7465

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$SPLASH: splash10-01t9-9000000000-3bf51ab4363cb2e70896
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.038577 2.759309 27
  43.054227 2.131923 21
  53.038577 1.069701 10
  55.054227 2.0757 20
  61.007276 12.503322 124
  62.015101 4.484727 44
  63.994366 42.918632 428
  67.054227 3.708396 37
  69.069877 1.127896 11
  79.017841 100.000001 999
  79.054227 5.952346 59
  81.069877 18.09796 180
  95.085527 4.788274 47
//