ACCESSION: MSBNK-EPA-ENTACT_AGILENT002465
RECORD_TITLE: l-Perillaldehyde; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: l-Perillaldehyde
CH$NAME: DTXSID5041190
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.1044650689
CH$SMILES: CC(=C)C1CC=C(CC1)C=O
CH$IUPAC: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
CH$LINK: CAS 18031-40-8
CH$LINK: INCHIKEY RUMOYJJNUMEFDD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2724159

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 40

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$SPLASH: splash10-03di-9000000000-6fc008a8ebaeb048b6f1
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  29.038577 6.515147 65
  45.033491 6.986978 69
  61.007276 20.057874 200
  62.015101 34.766917 347
  63.994366 100.000002 999
  64.030752 2.838975 28
  79.017841 35.831438 357
//