ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002541
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a7i-9000000000-a0cb1d00fd02b6052353
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.03 10
  26 1.4 14
  27 13.87 139
  28 4.52 45
  29 43.75 438
  30 1.16 12
  39 8.24 82
  40 1.28 13
  41 18.25 183
  42 2.94 29
  43 2.87 29
  44 2.25 23
  53 3.1 31
  54 14.47 145
  55 23.42 234
  56 2.95 30
  57 99.99 999
  58 3.67 37
  67 43.31 433
  68 2.6 26
  72 4.67 47
  73 1.06 11
  74 2.53 25
  75 30.69 307
  76 1.25 13
  79 1.09 11
  81 9.6 96
  82 78.47 785
  83 24.9 249
  84 1.56 16
  99 3.75 38
  100 1.16 12
  113 2.22 22
  127 2.03 20
//