ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007083
RECORD_TITLE: CYCLOHEXYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CC(C)CC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
CH$LINK: INCHIKEY SQPOKBBCNZIWFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1064796

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$SPLASH: splash10-0pc9-9100000000-52aceb07beaebd89d23a
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 1.56 16
  26 1.11 11
  27 22.03 220
  29 26.46 265
  31 1.18 12
  39 27.72 277
  41 71.9 719
  42 15.94 159
  43 22.81 228
  44 2.3 23
  45 2.02 20
  51 1.32 13
  53 5.78 58
  54 21.65 217
  55 58.29 583
  56 5.35 54
  57 96.14 961
  58 5.07 51
  59 3.16 32
  60 18.85 189
  61 5.67 57
  66 1.05 11
  67 60 600
  68 2.89 29
  69 3.29 33
  77 1 10
  79 2.36 24
  81 8.06 81
  82 90.35 904
  83 54.37 544
  84 3.33 33
  85 92.97 930
  86 4.28 43
  87 10.36 104
  99 5.5 55
  100 3.72 37
  101 1.68 17
  102 21.71 217
  103 99.99 999
  104 4.34 43
  127 1.24 12
  141 3.15 32
  142 1.19 12
//