ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002552
RECORD_TITLE: CYCLOHEXYL BUTYRATE; 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$NAME: CYCLOHEXYL BUTYRATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-008l-9000000000-d3da9d578d4b3ffd657f
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.54 15
  27 21.66 217
  28 4.31 43
  29 10.42 104
  39 13.83 138
  40 2.3 23
  41 39.83 398
  42 6.11 61
  43 75.8 758
  44 2.36 24
  53 3.93 39
  54 18.2 182
  55 33.63 336
  56 2.21 22
  57 3.55 36
  58 2.56 26
  60 4.4 44
  67 53.98 540
  68 3.05 31
  70 2.59 26
  71 96.36 964
  72 4.4 44
  73 2.65 27
  79 1.34 13
  81 9.67 97
  82 99.99 999
  83 35.64 356
  84 2.26 23
  86 5.41 54
  87 1.45 15
  88 13.42 134
  89 71.73 717
  90 3.32 33
  99 6.14 61
  127 5.03 50
//