ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010044
RECORD_TITLE: OCTANE-3,6-DIMETHYL-1,8-BIS-(2-OXYTETRAHYDRO-2H-PYRANYL); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: OCTANE-3,6-DIMETHYL-1,8-BIS-(2-OXYTETRAHYDRO-2H-PYRANYL)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₈O₄
CH$EXACT_MASS: 342.27701
CH$SMILES: CC(CCOC(C2)OCCC2)CCC(C)CCOC(C1)OCCC1
CH$IUPAC: InChI=1S/C20H38O4/c1-17(11-15-23-19-7-3-5-13-21-19)9-10-18(2)12-16-24-20-8-4-6-14-22-20/h17-20H,3-16H2,1-2H3
CH$LINK: INCHIKEY CMMVTFNLFCVCPP-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-000i-9000000000-3e5d5a5e7190dcb8f8c7
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 2.56 26
  28 2.7 27
  29 7.26 73
  31 2.44 24
  39 1.97 20
  41 16.74 167
  42 1.97 20
  43 7.42 74
  55 19.08 191
  56 8.05 81
  57 11.56 116
  67 6.36 64
  69 12.12 121
  70 2.48 25
  71 1.76 18
  81 2 20
  83 11.86 119
  84 5.64 56
  85 99.99 999
  86 5.52 55
  97 2.55 26
  101 10.14 101
  257 4.14 41
//