ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001531
RECORD_TITLE: CYCLOHEXYL 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$NAME: CYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
CH$LINK: INCHIKEY YYLLIJHXUHJATK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6052299

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$SPLASH: splash10-0006-9000000000-80d076308eba33206483
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 5.65 57
  27 8.8 88
  28 2.25 23
  29 6.2 62
  31 1.05 11
  39 9.05 91
  40 1.5 15
  41 16.65 167
  42 3 30
  43 99.99 999
  44 4.75 48
  51 1 10
  53 2.65 27
  54 18.7 187
  55 16.1 161
  56 1.9 19
  57 8.05 81
  58 7.35 74
  59 1.65 17
  61 8.85 89
  67 52.15 522
  68 3 30
  71 3.5 35
  72 1.5 15
  79 1.45 15
  81 7.75 78
  82 25.5 255
  83 10.55 106
  99 4.35 44
  100 4.95 50
//