ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008973
RECORD_TITLE: 1-ACETYLCYCLOHEXENE ETHYLENEACETAL; 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$NAME: 1-ACETYLCYCLOHEXENE ETHYLENEACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O2
CH$EXACT_MASS: 168.11503
CH$SMILES: [H]C(C2)=C(CCC2)C(C)(O1)OCC1
CH$IUPAC: InChI=1S/C10H16O2/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3
CH$LINK: INCHIKEY SKSVOXIMUGXIMZ-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
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: splash10-000i-9200000000-f73cdc34e982cffb2844
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39 10.78 108
  41 11.22 112
  42 3.08 31
  43 8.55 86
  44 2.18 22
  45 3.32 33
  50 1.34 13
  51 3.99 40
  52 2.7 27
  53 9.47 95
  54 1.48 15
  55 3.39 34
  65 3.05 31
  66 1.82 18
  67 3.51 35
  73 2.42 24
  77 6.45 65
  78 1.72 17
  79 9.16 92
  80 0.19 2
  81 16.48 165
  82 1.29 13
  86 2.78 28
  87 99.99 999
  88 4.96 50
  91 2.72 27
  93 1.78 18
  95 3.04 30
  109 8.16 82
  125 1.99 20
  153 40.39 404
  154 4.1 41
//
