ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007443
RECORD_TITLE: BIS(2-BUTOXYETHYL) ETHER; CI-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$NAME: BIS(2-BUTOXYETHYL) ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₃
CH$EXACT_MASS: 218.18819
CH$SMILES: CCCCOCCOCCOCCCC
CH$IUPAC: InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY KZVBBTZJMSWGTK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8025046

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014i-1390000000-89f64744e8ce4f595508
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  65 1.56 16
  71 0.73 7
  72 1.9 19
  74 2.37 24
  75 1.96 20
  83 0.63 6
  85 3.61 36
  87 1.66 17
  88 0.52 5
  89 4.59 46
  100 5.55 56
  101 10.37 104
  102 0.77 8
  103 1.13 11
  107 1.16 12
  116 0.96 10
  117 1.71 17
  119 0.71 7
  131 0.65 7
  144 2.23 22
  145 11.82 118
  146 1.15 12
  161 0.85 9
  163 5.96 60
  164 0.57 6
  203 0.61 6
  217 1.55 16
  219 99.99 999
  220 13.96 140
  221 1.4 14
//