ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005203
RECORD_TITLE: DIMETHYL ADIPATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₄
CH$EXACT_MASS: 174.08921
CH$SMILES: COC(=O)CCCCC(=O)OC
CH$IUPAC: InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY UDSFAEKRVUSQDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8025096

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

PK$SPLASH: splash10-004i-0900000000-74712c93603b5899eeb9
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  84 1.08 11
  101 1.56 16
  111 2.16 22
  114 1.56 16
  115 1.08 11
  143 43.99 440
  144 3.64 36
  175 99.99 999
  176 9.64 96
  177 1.3 13
//