ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009306
RECORD_TITLE: 3-METHYLCYCLOHEXYL ACETATE; EI-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$NAME: 3-METHYLCYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CC(=O)OC(C1)CC(C)CC1
CH$IUPAC: InChI=1S/C9H16O2/c1-7-4-3-5-9(6-7)11-8(2)10/h7,9H,3-6H2,1-2H3
CH$LINK: INCHIKEY POTQUGZZORQESZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90507472
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000t-9000000000-503aa259eb5b9e7da2b4
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  43 24.3 243
  54 6.6 66
  55 10.3 103
  56 0.13 1
  58 4.2 42
  61 3.6 36
  67 8.8 88
  68 1.46 15
  69 2.8 28
  71 5.3 53
  81 79.9 799
  82 0.62 6
  95 6.6 66
  96 99.99 999
  97 13.5 135
  112 0.14 1
  113 3 30
  114 2 20
//
