ACCESSION: MSBNK-EPA-ENTACT_AGILENT000740
RECORD_TITLE: Diethyl decanedioate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-03dr-1970000000-a85a85cd62932cf9f0db
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  43.017841 1.892809 18
  55.054227 1.380693 13
  67.054227 1.158042 11
  69.069877 4.986339 49
  81.069877 5.448967 54
  83.049141 1.4694 14
  93.069877 1.308727 13
  95.085527 2.123605 21
  97.064791 1.895388 18
  97.101177 2.99829 29
  107.085527 3.023384 30
  111.116827 6.075322 60
  121.101177 26.481894 264
  131.085527 4.625844 46
  139.111742 43.005639 429
  149.096091 15.952896 159
  157.122306 1.172823 11
  167.106656 9.065766 90
  185.117221 1.193155 11
  185.153606 13.736079 137
  195.137956 1.719613 17
  213.148521 99.999998 999
  259.190386 2.594108 25
//