ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006919
RECORD_TITLE: CYCLODECYL PROPIONATE; 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$NAME: CYCLODECYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₂
CH$EXACT_MASS: 212.17763
CH$SMILES: CCC(=O)OC(C1)CCCCCCCC1
CH$IUPAC: InChI=1S/C13H24O2/c1-2-13(14)15-12-10-8-6-4-3-5-7-9-11-12/h12H,2-11H2,1H3
CH$LINK: INCHIKEY JBOWYBVZEHROJP-UHFFFAOYSA-N

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$SPLASH: splash10-0a59-9000000000-709f2d2f26b843f72b6d
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 6.67 67
  28 2.07 21
  29 29.32 293
  39 3.29 33
  41 23.02 230
  42 1.29 13
  43 5.22 52
  53 2.67 27
  54 4.04 40
  55 9.66 97
  56 16.01 160
  57 99.99 999
  58 3.31 33
  67 22.63 226
  68 1.58 16
  69 4.13 41
  70 1.34 13
  75 28.01 280
  77 1.06 11
  79 2.93 29
  80 22.15 222
  81 17.55 176
  82 31.81 318
  83 9.72 97
  84 1.19 12
  95 3.39 34
  96 1.78 18
  97 1.02 10
  110 1.02 10
  123 10.18 102
  138 7.41 74
//