ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008707
RECORD_TITLE: 2-PHENYLPROPIONALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-PHENYLPROPIONALDEHYDE
CH$NAME: HYDRATROPALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: O=CC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
CH$LINK: INCHIKEY IQVAERDLDAZARL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0052629
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-6900000000-1cec9c93971f4a126413
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 5.36 54
  29 4.3 43
  39 5.68 57
  50 4.3 43
  51 11.82 118
  52 2.37 24
  53 1.5 15
  62 1.49 15
  63 3.62 36
  65 2.47 25
  74 1.48 15
  75 1.27 13
  76 1.05 11
  77 22.26 223
  78 5.34 53
  79 18.39 184
  89 1.69 17
  91 8.79 88
  102 1.34 13
  103 10.83 108
  104 3.21 32
  105 99.99 999
  106 10.28 103
  134 10.02 100
//
