ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008958
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000y-9000000000-842c7eb71f2d274569ba
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 7.3 73
  27 12.3 123
  29 9.7 97
  39 1.28 13
  40 3 30
  41 23.7 237
  42 4.9 49
  43 99.99 999
  44 3.7 37
  51 1.3 13
  53 4.9 49
  54 1.41 14
  55 34.9 349
  56 3.3 33
  57 3.5 35
  58 0.43 4
  59 1 10
  61 3 30
  65 1.3 13
  66 0.15 2
  67 13.5 135
  68 19 190
  70 4.9 49
  71 0.81 8
  72 1.6 16
  73 1 10
  77 1.3 13
  79 0.2 2
  80 1.3 13
  81 80.9 809
  82 5.4 54
  85 0.14 1
  95 7.6 76
  96 72 720
  97 10.7 107
  98 0.1 1
  113 2.3 23
  114 0.9 9
//
