MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001229

ETHYLENE GLYCOL DIDEUTEROACETYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001229
RECORD_TITLE: ETHYLENE GLYCOL DIDEUTEROACETYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

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CH$NAME: ETHYLENE GLYCOL DIDEUTEROACETYL ESTER
CH$NAME: ETHYLENE DI((2H3)ACETATE)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₄
CH$EXACT_MASS: 146.05791
CH$SMILES: [2H]C([2H])([2H])C(=O)OCCOC(=O)C([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3/i1D3,2D3
CH$LINK: INCHIKEY JTXMVXSTHSMVQF-WFGJKAKNSA-N

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AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-9000000000-ce9b675b4670b1a271d0
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  18 6.6 66
  28 2.4 24
  44 2.2 22
  45 0.42 4
  46 99.99 999
  47 2.2 22
  76 3.4 34
  89 0.52 5
  92 4.2 42
  109 2.8 28
  122 3.4 34
//