ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006091
RECORD_TITLE: DIMETHYL AZELATE; 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$NAME: DIMETHYL AZELATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: COC(=O)CCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY DRUKNYVQGHETPO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1044807

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$SPLASH: splash10-000i-2910000000-d97a8eb7baab49d48571
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  67 1.42 14
  69 3.68 37
  74 9.19 92
  81 1.57 16
  82 1.16 12
  83 7.72 77
  84 3.42 34
  87 2.87 29
  96 1.02 10
  97 3.15 32
  98 1.88 19
  111 5.59 56
  124 2.63 26
  125 3.36 34
  143 4.45 45
  151 6.48 65
  152 7.97 80
  153 1.85 19
  183 2.08 21
  185 99.99 999
  186 11.58 116
  187 1.17 12
  217 21.42 214
  218 2.84 28
//