ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009317
RECORD_TITLE: DIETHYLENE GLYCOL DIBUTYL 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$NAME: DIETHYLENE GLYCOL DIBUTYL ETHER
CH$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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9100000000-faa1409377d1d21d90b0
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  29 6.1 61
  41 12 120
  42 1.3 13
  43 0.26 3
  44 5.9 59
  45 47.5 475
  46 1.3 13
  55 0.48 5
  56 54 540
  57 99.99 999
  58 4.6 46
  59 2.12 21
  60 1.3 13
  61 1.5 15
  63 2 20
  69 0.28 3
  71 8.3 83
  72 14.2 142
  73 6.1 61
  74 0.11 1
  75 34.4 344
  76 1.5 15
  82 1.3 13
  83 0.22 2
  85 30.6 306
  86 2.4 24
  87 14.2 142
  88 0.2 2
  89 6.8 68
  98 1.1 11
  99 1.8 18
  100 3.28 33
  101 22.1 221
  102 1.8 18
  103 4.4 44
  116 0.31 3
  117 5.9 59
  118 2.4 24
  131 8.1 81
  132 0.11 1
  144 8.1 81
  145 1.5 15
//