ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008339
RECORD_TITLE: DIMETHYL 2-METHYLSUCCINATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL 2-METHYLSUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₄
CH$EXACT_MASS: 160.07356
CH$SMILES: COC(=O)CC(C)C(=O)OC
CH$IUPAC: InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
CH$LINK: INCHIKEY NFOQJNGQQXICBY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10870892

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0a6r-9300000000-9fe07ee1cf7b49aa9a9e
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  14 0.81 8
  15 33.51 335
  16 0.78 8
  26 0.7 7
  27 5.23 52
  28 1.15 12
  29 9.54 95
  30 0.49 5
  31 2.17 22
  32 0.54 5
  38 0.31 3
  39 6.62 66
  40 2.34 23
  41 17.93 179
  42 10.54 105
  43 6.07 61
  44 0.25 3
  45 2.42 24
  53 0.36 4
  55 6.55 66
  56 2.07 21
  57 0.59 6
  58 2.15 22
  59 99.99 999
  60 3.44 34
  68 0.59 6
  69 13.64 136
  70 1.44 14
  71 0.82 8
  72 1.65 17
  73 1.05 11
  74 5.63 56
  75 0.56 6
  79 0.24 2
  82 0.48 5
  83 0.2 2
  85 1.21 12
  87 11.05 111
  88 0.94 9
  91 0.15 2
  98 0.18 2
  99 1.37 14
  100 17.08 171
  101 20.41 204
  102 1.22 12
  113 0.64 6
  115 0.75 8
  128 21.31 213
  129 35.46 355
  130 2.68 27
  131 0.35 4
  142 0.1 1
//