ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002909
RECORD_TITLE: DIMETHYL GLUTARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0pdi-9400000000-d39ac7b9772bf85371e4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 51.48 515
  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
  45 4.43 44
  55 46.09 461
  56 3.9 39
  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
  97 8.56 86
  100 58.46 585
  101 43.53 435
  102 2.31 23
  128 32.75 328
  129 54.84 548
  130 4.56 46
//