ACCESSION: MSBNK-EPA-ENTACT_AGILENT000741
RECORD_TITLE: Diethyl decanedioate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Diethyl decanedioate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₄
CH$EXACT_MASS: 258.1831093186
CH$SMILES: CCOC(=O)CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
CH$LINK: CAS 110-40-7
CH$LINK: INCHIKEY ONKUXPIBXRRIDU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8049

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 259.1903857703
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00y4-9700000000-6a672ba901e839e68ac9
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  41.038577 2.07195 20
  43.017841 17.140844 171
  43.054227 2.193423 21
  55.054227 20.273994 202
  57.033491 4.750983 47
  57.069877 2.731358 27
  59.049141 1.195655 11
  67.054227 12.369389 123
  69.033491 1.392958 13
  69.069877 71.103159 710
  71.049141 2.788766 27
  73.064791 2.227421 22
  77.038577 1.225509 12
  79.054227 16.410683 163
  81.069877 30.809208 307
  83.049141 10.483161 104
  87.044056 2.467431 24
  91.054227 1.750604 17
  93.069877 38.791804 387
  95.085527 16.782844 167
  95.106656 1.334074 13
  97.064791 19.914845 198
  97.101177 35.29719 352
  101.059706 3.627691 36
  105.069877 1.409171 14
  107.085527 12.06586 120
  111.116827 20.332888 203
  115.075356 1.404941 14
  119.085527 2.457341 24
  121.101177 100.000002 999
  123.080441 1.846902 18
  131.085527 13.499879 134
  139.111742 78.290215 782
  143.143042 1.433142 14
  149.096091 14.175124 141
  167.106656 3.723149 37
  185.117221 1.119084 11
  185.153606 3.342665 33
  213.148521 3.921932 39
//