ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006386
RECORD_TITLE: CYCLOHEXYL PROPIONATE; 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$NAME: CYCLOHEXYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CCC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY MAMMVUWCKMOLSG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20211277

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$SPLASH: splash10-0a7i-9000000000-20b7fe2b6db729446a95
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  26 1.62 16
  27 19.64 196
  28 4.32 43
  29 44.25 443
  39 11.68 117
  40 1.47 15
  41 22.09 221
  42 4.75 48
  43 3.68 37
  44 2.01 20
  53 3.93 39
  54 14.93 149
  55 28.39 284
  56 4.19 42
  57 99.99 999
  58 3.54 35
  67 42.03 420
  68 2.04 20
  72 4.58 46
  74 1.65 17
  75 26.61 266
  79 1.2 12
  81 10.27 103
  82 64.12 641
  83 25.2 252
  84 1.36 14
  99 3.35 34
  113 1.58 16
  127 1.2 12
//