ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006112
RECORD_TITLE: TRIETHYLENE GLYCOL MONOBUTYL ETHER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: TRIETHYLENE GLYCOL MONOBUTYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₄
CH$EXACT_MASS: 206.15181
CH$SMILES: CCCCOCCOCCOCCO
CH$IUPAC: InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3
CH$LINK: INCHIKEY COBPKKZHLDDMTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021520

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0k9i-7950000000-446e438c4dc86fa33994
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  72 7.91 79
  73 7.21 72
  75 9.32 93
  76 2.34 23
  83 2.52 25
  85 15.57 156
  87 14.71 147
  88 10.51 105
  89 76.31 763
  90 4.44 44
  100 16.04 160
  101 36.61 366
  102 3 30
  103 2.99 30
  107 1.94 19
  115 1.13 11
  117 3.98 40
  119 5.86 59
  129 2.27 23
  131 5.46 55
  133 33.28 333
  134 2.78 28
  144 3.5 35
  145 18.89 189
  146 1.84 18
  151 44.1 441
  152 2.82 28
  163 1.29 13
  207 99.99 999
  208 10.32 103
  209 1.4 14
//