ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010911
RECORD_TITLE: 1,1-DIMETHYLPHENETYL CROTONATE; 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$NAME: 1,1-DIMETHYLPHENETYL CROTONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₂
CH$EXACT_MASS: 218.13068
CH$SMILES: [H]C(C)=C([H])C(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h4-10H,11H2,1-3H3/b8-4+
CH$LINK: INCHIKEY OKLPIYCKVVLHCP-XBXARRHUSA-N
CH$LINK: COMPTOX DTXSID40905060

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$SPLASH: splash10-014i-9500000000-276e651c597005001d85
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  15 1.5 15
  26 1.2 12
  27 5.5 55
  29 1.5 15
  38 2.4 24
  39 25.7 257
  41 21.6 216
  42 1.7 17
  43 5.2 52
  45 1.9 19
  50 3.3 33
  51 9.2 92
  52 2 20
  53 2.2 22
  54 1.3 13
  55 2.4 24
  57 1 10
  62 1.7 17
  63 6.5 65
  64 2.1 21
  65 14.5 145
  66 1.1 11
  68 2.4 24
  69 99.99 999
  70 4.6 46
  74 1.3 13
  75 1.1 11
  76 1.1 11
  77 5.9 59
  78 5.2 52
  79 1.3 13
  86 4.3 43
  89 4.6 46
  90 1.4 14
  91 47.4 474
  92 5.4 54
  102 1.3 13
  103 2.3 23
  104 2.3 23
  105 2.2 22
  115 19.6 196
  116 6.5 65
  117 62.4 624
  118 6.6 66
  127 4.8 48
  128 2 20
  129 1.9 19
  131 9.1 91
  132 58.4 584
  133 8.3 83
  160 1.6 16
//