ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006917
RECORD_TITLE: METHYL 3-CYCLOHEXYLPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3-CYCLOHEXYLPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: COC(=O)CCC(C1)CCCC1
CH$IUPAC: InChI=1S/C10H18O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY PPALFHZGSIENQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00174735

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$SPLASH: splash10-059m-9000000000-3b5db447fe33aea51570
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  15 11.88 119
  26 1.12 11
  27 18.96 190
  28 3.86 39
  29 18.39 184
  31 2.56 26
  39 23.62 236
  40 3.22 32
  41 56.08 561
  42 8.41 84
  43 25.91 259
  44 1.11 11
  45 2.08 21
  51 1.8 18
  52 1.27 13
  53 11 110
  54 12.8 128
  55 80.87 809
  56 6.27 63
  57 12.95 130
  59 14.52 145
  65 2.13 21
  66 1.41 14
  67 21.77 218
  68 5.14 51
  69 11.47 115
  71 1.13 11
  74 94.41 944
  75 19.78 198
  77 2.34 23
  79 5.14 51
  80 1.2 12
  81 14.66 147
  82 3.58 36
  83 13.2 132
  84 1.12 11
  85 1.38 14
  87 99.99 999
  88 19.63 196
  89 1.29 13
  91 1.59 16
  93 2.4 24
  94 3.71 37
  95 10.85 109
  96 23.21 232
  97 95.15 952
  98 7.2 72
  109 2.14 21
  110 1.83 18
  120 1.59 16
  121 10.54 105
  137 1.04 10
  138 3.71 37
  139 11.97 120
  141 10.89 109
  142 1.14 11
  170 1.06 11
//