ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006090
RECORD_TITLE: DIMETHYL SUBERATE; 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$NAME: DIMETHYL SUBERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₄
CH$EXACT_MASS: 202.12051
CH$SMILES: COC(=O)CCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY LNLCRJXCNQABMV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3061926

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$SPLASH: splash10-00di-2910000000-69e6360ea45ed7aef4a6
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  67 1.47 15
  69 7.58 76
  74 9.64 96
  81 1.05 11
  82 1.2 12
  83 4.61 46
  84 1.03 10
  87 3.09 31
  97 5.57 56
  101 1 10
  110 1.64 16
  111 3.26 33
  114 1.08 11
  129 8.43 84
  137 5.71 57
  138 7.04 70
  139 3.15 32
  169 1.62 16
  171 99.99 999
  172 9.61 96
  203 19.17 192
  204 2.25 23
//