ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007360
RECORD_TITLE: BIS(2-BUTOXYETHYL) 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$NAME: BIS(2-BUTOXYETHYL) ETHER
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-9000000000-6ee1f836e03114a9bd1f
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 6.85 69
  28 7.09 71
  29 32.24 322
  30 1.39 14
  31 3.12 31
  39 2.8 28
  41 28.33 283
  42 2.1 21
  43 4.48 45
  44 6.25 63
  45 49.59 496
  46 1.07 11
  51 1.02 10
  55 6.58 66
  56 36.12 361
  57 99.99 999
  58 4.48 45
  59 14.32 143
  61 1.12 11
  63 1.12 11
  69 2.15 22
  71 4.67 47
  72 7.56 76
  73 3.87 39
  75 26.04 260
  83 1.49 15
  85 17.5 175
  86 1.21 12
  87 10.31 103
  88 1.21 12
  89 4.53 45
//