ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006087
RECORD_TITLE: DIMETHYL GLUTARATE; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-004i-0900000000-214b1b7e15c361c476fd
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  74 1.04 10
  87 1.72 17
  100 7.82 78
  101 8.37 84
  128 2.84 28
  129 99.99 999
  130 6.75 68
  161 10.17 102
  162 0.65 7
//