ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009305
RECORD_TITLE: 2-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$NAME: 2-METHYLCYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CC(=O)OC(C1)C(C)CCC1
CH$IUPAC: InChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3
CH$LINK: INCHIKEY AKIIJALHGMKJEJ-UHFFFAOYSA-N
AC$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: splash10-0002-9000000000-30845c42b05ceedce074
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  43 30.4 304
  54 3.1 31
  55 6.1 61
  56 0.12 1
  57 2.4 24
  58 2.1 21
  61 1.5 15
  66 0.25 3
  67 16 160
  68 21.5 215
  69 4.3 43
  71 0.34 3
  72 7.6 76
  81 49.1 491
  82 4.4 44
  85 0.2 2
  95 6 60
  96 99.99 999
  97 12.1 121
  112 0.12 1
  113 2.1 21
  114 6.6 66
  115 1.2 12
//
