ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008957
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-600b6cce25b2ab4e95da
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  15 6.7 67
  27 12.8 128
  29 10.4 104
  39 1.15 12
  40 2.2 22
  41 23 230
  42 4.4 44
  43 99.99 999
  44 3.9 39
  45 2.7 27
  51 1.4 14
  53 0.44 4
  54 6.1 61
  55 25.4 254
  56 3.8 38
  57 0.77 8
  58 3.8 38
  61 1.6 16
  66 2.5 25
  67 1.97 20
  68 25.7 257
  69 7.7 77
  70 1.6 16
  71 0.57 6
  72 7.8 78
  77 1.2 12
  79 1.8 18
  80 0.13 1
  81 45 450
  82 4.1 41
  83 1.2 12
  84 0.13 1
  85 2.2 22
  86 1.4 14
  95 8.7 87
  96 6.8 68
  97 10 100
  112 1.5 15
  113 2.3 23
  114 5.5 55
//
