ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006489
RECORD_TITLE: ALLYL 3-CYCLOHEXYLPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALLYL 3-CYCLOHEXYLPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: C=CCOC(=O)CCC(C1)CCCC1
CH$IUPAC: InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
CH$LINK: INCHIKEY TWXUTZNBHUWMKJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8044755

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$SPLASH: splash10-052g-9200000000-fdd005bfa4f1e00b0547
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  15 1.28 13
  26 1.29 13
  27 16.73 167
  28 3.92 39
  29 18.61 186
  31 1.09 11
  38 1.08 11
  39 35.43 354
  40 4.64 46
  41 99.99 999
  42 8.75 88
  43 15.23 152
  45 1.35 14
  51 1.47 15
  53 9.14 91
  54 16.73 167
  55 81.68 817
  56 14.06 141
  57 12.17 122
  58 6.6 66
  60 3.24 32
  65 1.86 19
  66 1.14 11
  67 25.11 251
  68 4.95 50
  69 21.92 219
  70 1.42 14
  71 4.8 48
  73 1.82 18
  77 2.04 20
  79 7.92 79
  80 1.48 15
  81 13.09 131
  82 5.3 53
  83 14.72 147
  85 2.17 22
  91 3.32 33
  93 14.69 147
  94 4.87 49
  95 62 620
  96 16.47 165
  97 29.61 296
  98 2.12 21
  99 2.65 27
  100 38.9 389
  101 11.09 111
  109 13.34 133
  110 1.88 19
  111 1.06 11
  113 34.44 344
  114 2.3 23
  119 13.38 134
  120 1.54 15
  121 31.22 312
  122 2.19 22
  137 14.17 142
  138 3.13 31
  139 15.5 155
  140 1.31 13
  155 1.53 15
  167 3.32 33
//