ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008227
RECORD_TITLE: DIMETHYL GLUTARATE; 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$NAME: DIMETHYL GLUTARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₄
CH$EXACT_MASS: 160.07356
CH$SMILES: COC(=O)CCCC(=O)OC
CH$IUPAC: InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3
CH$LINK: CAS 1119-40-0
CH$LINK: INCHIKEY XTDYIOOONNVFMA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3025122

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$SPLASH: splash10-0pdi-9400000000-95aa64fbd2999abdf4ab
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  14 1.88 19
  15 51.48 515
  17 1.46 15
  18 3.87 39
  27 9.28 93
  29 12.14 121
  31 4.24 42
  39 9.62 96
  40 2.27 23
  41 21.6 216
  42 28.02 280
  43 17.53 175
  44 0.94 9
  45 4.43 44
  49 1.77 18
  55 46.09 461
  56 3.9 39
  57 1.67 17
  58 8.71 87
  59 99.99 999
  60 3.47 35
  68 2.44 24
  69 4.36 44
  70 2.34 23
  72 5.45 55
  74 9.61 96
  85 3.35 34
  87 15.91 159
  88 1.41 14
  97 8.56 86
  98 0.97 10
  99 1.35 14
  100 58.46 585
  101 43.53 435
  102 2.31 23
  128 32.75 328
  129 54.84 548
  130 4.56 46
//