ACCESSION: MSBNK-EPA-ENTACT_AGILENT000739
RECORD_TITLE: Diethyl decanedioate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0aou-9000000000-6bbf7216efc3a9ed855b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  39.022927 1.819761 18
  41.038577 26.380234 263
  43.017841 18.669917 186
  43.054227 5.969445 59
  53.038577 1.682027 16
  55.017841 5.894593 58
  55.054227 99.999999 999
  57.033491 4.422889 44
  57.069877 5.613577 56
  59.049141 3.967251 39
  67.054227 15.105904 150
  69.033491 1.244666 12
  69.069877 65.925589 658
  73.064791 1.861414 18
  77.038577 5.207082 52
  79.054227 35.163091 351
  81.069877 15.566149 155
  83.049141 9.963291 99
  83.085527 1.268175 12
  87.044056 1.088065 10
  91.054227 7.601759 75
  93.069877 25.347642 253
  95.085527 12.732182 127
  97.064791 9.03245 90
  97.101177 6.62914 66
  105.069877 2.853687 28
  107.085527 1.284231 12
  121.101177 4.918736 49
  131.085527 1.478519 14
  139.111742 1.181888 11
//