ACCESSION: MSBNK-EPA-ENTACT_AGILENT001493
RECORD_TITLE: Bis[2-(2-butoxyethoxy)ethyl] adipate; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Bis[2-(2-butoxyethoxy)ethyl] adipate
CH$NAME: DTXSID3027085
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₈
CH$EXACT_MASS: 434.2879683182
CH$SMILES: CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC
CH$IUPAC: InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3
CH$LINK: CAS 141-17-3
CH$LINK: INCHIKEY SCABKEBYDRTODC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8836

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 433.2806918665
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-4c8fcf71abb4212b046d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  41.039674 3.007566 30
  43.018938 2.840827 28
  44.998203 1.468976 14
  51.024024 1.796061 17
  53.039674 1.39494 13
  55.018938 2.308683 23
  57.034588 8.476979 84
  59.013853 100.000001 999
  59.050238 1.355208 13
  67.018938 1.541558 15
  69.034588 19.786874 197
  71.013853 5.654075 56
  73.029503 1.237936 12
  79.018938 4.941813 49
  85.029503 49.014049 489
  97.008374 1.075556 10
  97.029503 14.260794 142
  105.070974 1.269388 12
  133.065888 13.74637 137
  163.076453 1.093017 10
  183.081539 1.034766 10
//