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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001709

DECANEDIOIC ACID DIMETHYL ESTER; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001709
RECORD_TITLE: DECANEDIOIC 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$NAME: DECANEDIOIC ACID DIMETHYL ESTER
CH$NAME: DIMETHYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O4
CH$EXACT_MASS: 230.15181
CH$SMILES: COC(=O)CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY ALOUNLDAKADEEB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026740

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$SPLASH: splash10-000t-0970000000-4946405b0c410750f5db
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  69 0.43 4
  73 0.57 6
  74 0.97 10
  81 0.44 4
  83 0.98 10
  84 0.53 5
  85 0.46 5
  87 0.39 4
  97 0.87 9
  98 0.91 9
  125 0.73 7
  137 0.41 4
  138 0.42 4
  139 0.75 8
  157 0.76 8
  165 2.82 28
  166 0.64 6
  171 2.93 29
  173 0.23 2
  197 2.54 25
  198 0.78 8
  199 99.99 999
  200 11.8 118
  201 1.18 12
  231 72.89 729
  232 10.14 101
  233 1.27 13
  271 0.33 3
//

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