ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008662
RECORD_TITLE: 3-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$NAME: 3-PHENYLPROPANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O2
CH$EXACT_MASS: 180.11503
CH$SMILES: COC(OC)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
CH$LINK: INCHIKEY PQAOFUQAZBGCQK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00184157
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$SPLASH: splash10-004l-9300000000-f71185a80e44685294ef
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 2.82 28
  27 2.21 22
  29 3.36 34
  31 5.01 50
  39 5.56 56
  41 1.73 17
  43 3.65 37
  45 3.28 33
  47 12.72 127
  50 1.43 14
  51 5.65 57
  52 1.26 13
  57 1.04 10
  58 6.4 64
  63 2.32 23
  65 9.82 98
  75 99.99 999
  76 4.03 40
  77 7.5 75
  78 3.93 39
  79 2.16 22
  89 3.27 33
  90 1.1 11
  91 66.03 660
  92 6.98 70
  102 3.02 30
  103 3.25 33
  104 1.86 19
  105 5.7 57
  115 3.73 37
  116 4.8 48
  117 17.17 172
  118 3.04 30
  121 1.81 18
  133 1.77 18
  147 4.38 44
  148 29.67 297
  149 8.57 86
//
