ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006197
RECORD_TITLE: TRIETHYLENE GLYCOL MONOETHYL 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$NAME: TRIETHYLENE GLYCOL MONOETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₄
CH$EXACT_MASS: 178.12051
CH$SMILES: CCOCCOCCOCCO
CH$IUPAC: InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY WFSMVVDJSNMRAR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024368

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$SPLASH: splash10-004i-0900000000-e689b7c594de40291553
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  87 1.37 14
  88 1.39 14
  89 6.53 65
  91 1.53 15
  116 1.25 13
  117 7.44 74
  133 4.09 41
  179 99.99 999
  180 8.98 90
  181 1.15 12
  357 0.2 2
//