ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006035
RECORD_TITLE: DIMETHYL GLUTARATE; EI-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$NAME: DIMETHYL GLUTARATE
CH$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$LINK: INCHIKEY XTDYIOOONNVFMA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3025122

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0zi0-5900000000-b83f1ebb274160423eda
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 3.43 34
  41 10.85 109
  42 5.97 60
  43 11.66 117
  45 1.61 16
  55 26.33 263
  56 2.29 23
  58 6.75 68
  59 59.81 598
  60 2.14 21
  68 2.06 21
  69 3.49 35
  70 2.05 21
  71 1 10
  72 5.14 51
  74 11.68 117
  85 5.73 57
  87 27.33 273
  88 1.78 18
  97 9.6 96
  98 1.3 13
  99 1.28 13
  100 99.99 999
  101 60.24 602
  102 3.37 34
  128 56.93 569
  129 89.72 897
  130 6.25 63
  131 0.71 7
//