ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009060
RECORD_TITLE: 3-PHENYLPROPANAL DIETHYL 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$NAME: 3-PHENYLPROPANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O2
CH$EXACT_MASS: 208.14633
CH$SMILES: CCOC(OCC)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H20O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
CH$LINK: INCHIKEY PUAHZQALAWRSNP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8064517
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$SPLASH: splash10-0f97-9600000000-1b05e5ce19f044de251b
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 1.72 17
  29 32.32 323
  30 1.19 12
  31 12.4 124
  39 7.85 79
  41 1.94 19
  43 6.56 66
  44 7.47 75
  45 7.39 74
  46 1.49 15
  47 61.19 612
  50 2.36 24
  51 9.94 99
  52 2.09 21
  53 1.3 13
  55 5.29 53
  57 4.23 42
  59 1.25 13
  63 3.39 34
  64 1.03 10
  65 13.44 134
  72 1.99 20
  74 1.02 10
  75 49.25 493
  76 2.46 25
  77 19.68 197
  78 15.05 151
  79 10.7 107
  89 3.3 33
  90 1.57 16
  91 99.99 999
  92 19.36 194
  93 1.14 11
  102 1.66 17
  103 92.2 922
  104 8.98 90
  105 39.54 395
  106 3.27 33
  107 1.35 14
  115 7.99 80
  116 5 50
  117 29.91 299
  118 9.92 99
  119 6.66 67
  130 1.76 18
  131 1.11 11
  133 15.44 154
  134 3.09 31
  135 1.41 14
  161 1.4 14
  162 32.99 330
  163 17.15 172
  164 1.81 18
//
