ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005959
RECORD_TITLE: CYCLOHEXYL PROPIONATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S 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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-001i-9000000000-a8d8d731353c3bd3ab4d
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  73 3.78 38
  74 2.83 28
  75 70.72 707
  76 2.34 23
  77 1.52 15
  78 1.01 10
  79 5.85 59
  81 40.62 406
  82 99.99 999
  83 72.76 728
  85 4.75 48
  99 7.09 71
  100 1 10
  113 1.94 19
  127 2.85 29
  157 2.91 29
//