ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006194
RECORD_TITLE: TRIETHYLENE GLYCOL; 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$NAME: TRIETHYLENE GLYCOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O₄
CH$EXACT_MASS: 150.08921
CH$SMILES: OCCOCCOCCO
CH$IUPAC: InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
CH$LINK: INCHIKEY ZIBGPFATKBEMQZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021393

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$SPLASH: splash10-0udi-2900000000-b7da5de5619a9781baa6
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  88 3.65 37
  89 35.96 360
  90 2.18 22
  107 2.88 29
  129 1.1 11
  133 7.14 71
  151 99.99 999
  152 15.37 154
  153 2.21 22
  301 1.41 14
//