ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006088
RECORD_TITLE: DIMETHYL ADIPATE; 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$NAME: DIMETHYL ADIPATE
CH$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$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0006-0900000000-632312a1cd44084b9347
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  73 1.04 10
  74 3.71 37
  83 2.88 29
  87 1.11 11
  97 1.06 11
  101 5.16 52
  111 11.7 117
  114 6.39 64
  115 2.68 27
  142 1.04 10
  143 99.99 999
  144 7.61 76
  175 13.24 132
  176 1.17 12
//