ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008959
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000y-9000000000-597bc76202a7dec0e76a
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 6.3 63
  27 12.1 121
  29 13.3 133
  39 1.21 12
  40 1.8 18
  41 22.9 229
  42 2.8 28
  43 99.99 999
  44 3 30
  51 1 10
  53 4.7 47
  54 2.26 23
  55 33.9 339
  56 3.5 35
  57 7.1 71
  58 0.57 6
  61 4.7 47
  66 1.1 11
  67 13.3 133
  68 1.54 15
  69 3.7 37
  70 3 30
  71 2 20
  77 0.11 1
  79 1.8 18
  81 77.1 771
  82 5.1 51
  95 0.78 8
  96 66.6 666
  97 8.7 87
  113 1.8 18
  114 0.8 8
//