ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008665
RECORD_TITLE: 2-PHENYLPROPANAL DIMETHYL ACETAL; 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$NAME: 2-PHENYLPROPANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O2
CH$EXACT_MASS: 180.11503
CH$SMILES: COC(OC)C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
CH$LINK: INCHIKEY UFOUDYPOSJJEDJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047109
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$SPLASH: splash10-004i-9100000000-b9de4d0d90a10aed6bd7
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 2.41 24
  27 1.35 14
  29 1.71 17
  31 4.36 44
  39 1.59 16
  43 1.68 17
  47 11.23 112
  51 3 30
  65 1.23 12
  75 99.99 999
  76 3.78 38
  78 1.56 16
  79 2.7 27
  91 5.19 52
  103 2.33 23
  105 7.21 72
  115 1.41 14
  117 3.92 39
  149 7.05 71
//
