ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008385
RECORD_TITLE: ALLYL CYCLOHEXYLACETATE; 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$NAME: ALLYL CYCLOHEXYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O₂
CH$EXACT_MASS: 182.13068
CH$SMILES: C=CCOC(=O)CC(C1)CCCC1
CH$IUPAC: InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2
CH$LINK: INCHIKEY UECFOOSFSUDPOR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9063580

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$SPLASH: splash10-0k96-9100000000-a884ffab5fd7582cb8c7
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  15 1.59 16
  26 1.52 15
  27 17.55 176
  28 6.61 66
  29 17.34 173
  31 1.29 13
  38 1.33 13
  39 37.68 377
  40 7.04 70
  41 99.99 999
  42 8.94 89
  43 26.42 264
  44 1.13 11
  45 1.25 13
  51 1.4 14
  53 9.21 92
  54 30.33 303
  55 92.53 925
  56 24.5 245
  57 8.76 88
  58 19.73 197
  60 1.56 16
  65 1.48 15
  67 13.18 132
  68 2.94 29
  69 3.6 36
  71 1.25 13
  72 1.4 14
  77 1.65 17
  79 6.78 68
  80 2.26 23
  81 44.27 443
  82 14.6 146
  83 10.56 106
  85 2.85 29
  93 1.13 11
  95 11.26 113
  96 1.39 14
  97 29.39 294
  98 2.04 20
  99 7.29 73
  100 70.77 708
  101 21.22 212
  102 1.19 12
  122 1.54 15
  123 3.54 35
  125 23.41 234
  126 1.87 19
  182 1.5 15
//