ACCESSION: MSBNK-EPA-ENTACT_AGILENT002313
RECORD_TITLE: 4-Isopropylphenol; ESI-QTOF; MS2; CE: 10; [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 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$SPLASH: splash10-004i-9000000000-9be38d17c2acf01d1336
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  61.007276 1.934057 19
  63.994366 4.903479 48
  79.017841 100.000003 999
  79.054227 2.817734 28
  81.069877 17.18038 171
  95.085527 4.192536 41
//