ACCESSION: MSBNK-EPA-ENTACT_AGILENT001837
RECORD_TITLE: p-Cymen-8-ol; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: p-Cymen-8-ol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.1044650689
CH$SMILES: CC1C=CC(=CC=1)C(C)(C)O
CH$IUPAC: InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
CH$LINK: CAS 1197-01-9
CH$LINK: INCHIKEY XLPDVYGDNRIQFV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14529

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$SPLASH: splash10-004i-9000000000-0cd6f7fa28e676fe52db
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.054227 1.42118 14
  45.033491 6.8607 68
  61.007276 9.40072 93
  62.015101 3.790182 37
  63.994366 26.478471 264
  79.017841 99.999998 999
  79.054227 2.08044 20
  93.069877 2.021012 20
//