ACCESSION: MSBNK-EPA-ENTACT_AGILENT001898
RECORD_TITLE: Bis(2-butoxyethyl) decanedioate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Bis(2-butoxyethyl) decanedioate
CH$NAME: DTXSID6044802
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₆
CH$EXACT_MASS: 402.2981390736
CH$SMILES: CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC
CH$IUPAC: InChI=1S/C22H42O6/c1-3-5-15-25-17-19-27-21(23)13-11-9-7-8-10-12-14-22(24)28-20-18-26-16-6-4-2/h3-20H2,1-2H3
CH$LINK: CAS 141-19-5
CH$LINK: INCHIKEY KZBSIGKPGIZQJQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67329

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$FOCUSED_ION: PRECURSOR_M/Z 403.3054155253
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-3193000000-749b382f0300bcf26ca0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41.038577 3.507865 35
  45.033491 37.419083 373
  55.054227 11.111332 111
  57.069877 16.704733 166
  63.044056 1.979007 19
  69.069877 1.70758 17
  79.054227 2.346286 23
  81.069877 4.889601 48
  83.085527 7.424356 74
  85.064791 1.937945 19
  95.085527 1.854481 18
  97.064791 1.317811 13
  99.044056 2.216192 22
  99.080441 1.182814 11
  101.096091 13.00826 129
  109.064791 1.55299 15
  111.116827 2.030463 20
  121.101177 4.434694 44
  133.101177 1.268217 12
  139.111742 4.890418 48
  167.106656 1.541744 15
  169.122306 2.267576 22
  185.117221 3.228509 32
  211.132871 40.369964 403
  213.148521 46.139213 460
  229.143436 100.000001 999
  229.195077 1.528137 15
  273.16965 11.329762 113
  285.206036 35.107176 350
  329.232251 95.45728 953
//