ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006044
RECORD_TITLE: TRIETHYLENE GLYCOL DIACETATE; EI-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$NAME: TRIETHYLENE GLYCOL DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₆
CH$EXACT_MASS: 234.11034
CH$SMILES: CC(=O)OCCOCCOCCOC(C)=O
CH$IUPAC: InChI=1S/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3
CH$LINK: INCHIKEY OVOUKWFJRHALDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026223

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-000i-9000000000-e2c97853bc8f20bbbbae
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  43 15.82 158
  70 2.85 29
  71 1.28 13
  73 3.18 32
  87 99.99 999
  88 4.8 48
  99 1.42 14
  101 1.39 14
  114 1.02 10
  117 4.62 46
  131 1.2 12
//