ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006413
RECORD_TITLE: CYCLOHEXYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXYL BUTYRATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-007x-9000000000-14210e7987483ed12284
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.06 11
  18 6.48 65
  26 1.51 15
  27 24.6 246
  29 14.52 145
  39 3.4 34
  41 59.68 597
  42 5.23 52
  43 61.25 613
  44 2.29 23
  45 1.41 14
  51 2.32 23
  53 6.41 64
  54 20.94 209
  55 25.91 259
  56 4.28 43
  57 1.53 15
  60 5.79 58
  65 1.45 15
  66 1.32 13
  67 51.83 518
  68 3.53 35
  71 99.99 999
  72 1.47 15
  73 1.73 17
  77 1.04 10
  81 11.25 113
  82 83.77 838
  83 33.5 335
  86 1.17 12
  88 12.66 127
  89 65.96 660
  90 1.69 17
  99 8.08 81
  127 6.58 66
//