ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009307
RECORD_TITLE: 4-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$NAME: 4-METHYLCYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CC(=O)OC(C1)CCC(C)C1
CH$IUPAC: InChI=1S/C9H16O2/c1-7-3-5-9(6-4-7)11-8(2)10/h7,9H,3-6H2,1-2H3
CH$LINK: INCHIKEY VJBFCCCTSQEGMH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80928076

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$SPLASH: splash10-000t-9000000000-e73a36619c84dbf93507
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  43 26 260
  54 10.6 106
  55 11 110
  56 1.3 13
  57 0.24 2
  58 3.9 39
  61 5.6 56
  66 0.14 1
  67 8.4 84
  68 13.1 131
  69 2.1 21
  70 0.26 3
  71 1.7 17
  81 84 840
  82 6 60
  85 0.1 1
  95 5.7 57
  96 99.99 999
  97 11.1 111
  99 0.1 1
  113 2.1 21
  114 1.9 19
//