MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006184

ETHYLENE GLYCOL DIACETATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006184
RECORD_TITLE: ETHYLENE 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$NAME: ETHYLENE GLYCOL DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₄
CH$EXACT_MASS: 146.05791
CH$SMILES: CC(=O)OCCOC(C)=O
CH$IUPAC: InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3
CH$LINK: INCHIKEY JTXMVXSTHSMVQF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026880

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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$SPLASH: splash10-000i-9200000000-b86706dd907134bafd90
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  86 4.41 44
  87 99.99 999
  88 11.24 112
  89 1.36 14
  103 1.03 10
  105 1.44 14
  116 1.08 11
  147 24.86 249
  148 1.73 17
//