ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000289
RECORD_TITLE: PROPYLCYCLOHEXANE; 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$NAME: PROPYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCC(C1)CCCC1
CH$IUPAC: InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY DEDZSLCZHWTGOR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4074699

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$SPLASH: splash10-001i-9000000000-4f3fcff75e976191cfa3
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 14.2 142
  28 3 30
  29 13.8 138
  39 1.62 16
  40 4.1 41
  41 43.2 432
  42 8.9 89
  43 0.87 9
  51 1.6 16
  53 5.6 56
  54 7.9 79
  55 8.79 88
  56 13.4 134
  57 3.5 35
  65 1.5 15
  67 1.75 18
  68 4 40
  69 10.6 106
  70 4.9 49
  77 0.14 1
  79 1.4 14
  81 2.6 26
  82 62.5 625
  83 99.99 999
  84 7.8 78
  97 3.5 35
  98 1.2 12
  126 2.92 29
  127 3 30
//