ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005896
RECORD_TITLE: CYCLOHEXYL PROPIONATE; 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$NAME: CYCLOHEXYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CCC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY MAMMVUWCKMOLSG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20211277

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053r-9000000000-2c1911191ca885be5104
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  29 10.35 104
  41 3.29 33
  43 1.18 12
  54 10.82 108
  55 12.94 129
  56 2.12 21
  57 84.23 842
  58 2.82 28
  67 46.12 461
  68 2.71 27
  72 6.35 64
  73 1.41 14
  74 3.06 31
  75 38.12 381
  76 1.41 14
  81 9.18 92
  82 99.99 999
  83 26.12 261
  84 1.65 17
  85 1.06 11
  99 4.71 47
  100 1.65 17
  112 3.06 31
  126 2.59 26
//