ACCESSION: MSBNK-EPA-ENTACT_AGILENT002399
RECORD_TITLE: 2-Methyl-1-phenylpropan-2-ol; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Methyl-1-phenylpropan-2-ol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.1044650689
CH$SMILES: CC(C)(O)CC1C=CC=CC=1
CH$IUPAC: InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
CH$LINK: CAS 100-86-7
CH$LINK: INCHIKEY RIWRBSMFKVOJMN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7531

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$FOCUSED_ION: PRECURSOR_M/Z 151.1117415206
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-08f0508930bee1ac552a
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  61.007276 6.538772 65
  62.015101 1.44791 14
  63.994366 17.751184 177
  79.017841 99.999996 999
  79.054227 3.715754 37
  80.025666 3.081268 30
//