MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006113

TRIETHYLENE GLYCOL DIACETATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006113
RECORD_TITLE: TRIETHYLENE GLYCOL DIACETATE; 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

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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

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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

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PK$SPLASH: splash10-000i-9000000000-e4a170fa5ba023b06649
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  70 1 10
  87 99.99 999
  88 4.62 46
  235 0.55 6
//