ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006086
RECORD_TITLE: DIMETHYL SUCCINATE; 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

CH$NAME: DIMETHYL SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₄
CH$EXACT_MASS: 146.05791
CH$SMILES: COC(=O)CCC(=O)OC
CH$IUPAC: InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY MUXOBHXGJLMRAB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025152

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

PK$SPLASH: splash10-014i-0900000000-0e64cb9a284ec8ab9250
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  87 2.74 27
  114 3.58 36
  115 99.99 999
  116 5.89 59
  146 0.11 1
  147 16.59 166
  148 1.08 11
//