ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008040
RECORD_TITLE: BUTYRIC ACID CYCLOHEXYL ESTER; 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$NAME: BUTYRIC ACID CYCLOHEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY VZHUBBUZNIULNM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8061769

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$SPLASH: splash10-008i-9000000000-b7e7f9b829c5922b3648
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 1.2 12
  28 1.39 14
  29 1.2 12
  41 4.58 46
  42 1.2 12
  43 33.86 339
  44 1.2 12
  54 11.16 112
  55 15.14 151
  56 1.2 12
  57 1.99 20
  58 2.19 22
  60 3.39 34
  67 46.61 466
  68 2.59 26
  70 3.39 34
  71 82.47 825
  72 3.78 38
  73 2.39 24
  81 7.97 80
  82 99.99 999
  83 32.87 329
  84 2.19 22
  86 5.58 56
  87 1.39 14
  88 11.95 120
  89 64.74 647
  90 3.39 34
  99 6.37 64
  100 1 10
  127 4.98 50
//