ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001829
RECORD_TITLE: BUTANEDIOIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BUTANEDIOIC ACID DIMETHYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-066r-9700000000-a5816c939f45d0df9f23
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 17.44 174
  26 1.54 15
  27 7.14 71
  28 9.31 93
  29 3.15 32
  31 1.26 13
  41 2.45 25
  42 2.24 22
  43 1.47 15
  45 4.83 48
  55 46.43 464
  56 3.78 38
  57 3.5 35
  59 35.15 352
  87 16.88 169
  114 25.98 260
  115 99.99 999
  116 4.83 48
//