MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005936

OXALIC ACID DIETHYL ESTER; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005936
RECORD_TITLE: OXALIC ACID DIETHYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: OXALIC ACID DIETHYL ESTER
CH$NAME: DIETHYL OXALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₄
CH$EXACT_MASS: 146.05791
CH$SMILES: CCOC(=O)C(=O)OCC
CH$IUPAC: InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY WYACBZDAHNBPPB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2044472

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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$SPLASH: splash10-016v-9800000000-c275bfb49505a8c438cd
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  71 2.86 29
  73 1.9 19
  74 33.14 331
  75 81.96 820
  77 3 30
  91 61.77 618
  99 1.09 11
  119 99.99 999
  120 3.43 34
  121 1.64 16
  146 2.66 27
  147 70.13 701
  148 3.46 35
//