ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006195
RECORD_TITLE: TRIETHYLENE GLYCOL DIMETHYL 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$NAME: TRIETHYLENE GLYCOL DIMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₄
CH$EXACT_MASS: 178.12051
CH$SMILES: COCCOCCOCCOC
CH$IUPAC: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY YFNKIDBQEZZDLK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026224

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$SPLASH: splash10-0fb9-0900000000-e554a46cba24e974f819
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  87 5.26 53
  88 1.22 12
  89 3.45 35
  102 4.61 46
  103 51.07 511
  104 3.06 31
  133 3.03 30
  147 6.75 68
  177 2.47 25
  179 99.99 999
  180 16.71 167
  181 2.09 21
//