ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001506
RECORD_TITLE: DIHEXYL ETHER; 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$NAME: DIHEXYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O
CH$EXACT_MASS: 186.19837
CH$SMILES: CCCCCCOCCCCCC
CH$IUPAC: InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
CH$LINK: COMPTOX DTXSID8059421
CH$LINK: INCHIKEY BPIUIOXAFBGMNB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8198

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$SPLASH: splash10-052o-9000000000-900a20d47416ce2a0354
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 10.61 106
  28 3.6 36
  29 14.68 147
  31 1.75 18
  39 4.59 46
  40 1.19 12
  41 25.06 251
  42 11.09 111
  43 99.99 999
  44 3.36 34
  45 2.65 27
  53 1.33 13
  54 1.4 14
  55 16.13 161
  56 38.19 382
  57 17.62 176
  67 1.47 15
  69 10.4 104
  70 1.58 16
  71 1.42 14
  73 1.13 11
  82 1.64 16
  83 16.39 164
  84 29.39 294
  85 86.45 865
  86 5.8 58
  101 1.33 13
  103 4.38 44
  115 3.32 33
  186 1.04 10
//