ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001726
RECORD_TITLE: DODECANEDIOIC ACID DIMETHYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DODECANEDIOIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₄
CH$EXACT_MASS: 258.18311
CH$SMILES: COC(=O)CCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY IZMOTZDBVPMOFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0074390

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-056r-7090000000-d5b3ae44a835231e4676
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  65 4.43 44
  69 24.19 242
  70 2.27 23
  71 49.77 498
  77 26.43 264
  81 20.99 210
  85 13.19 132
  91 9.42 94
  227 99.99 999
  259 69.79 698
//