ACCESSION: MSBNK-EPA-ENTACT_AGILENT001897
RECORD_TITLE: Bis(2-butoxyethyl) decanedioate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-004i-0039000000-01f4ee4e8c6f0dca5e66
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  45.033491 1.160154 11
  55.054227 1.30994 13
  57.069877 1.933578 19
  101.096091 1.188073 11
  211.132871 3.262448 32
  213.148521 6.577949 65
  229.143436 9.287233 92
  285.206036 22.622709 226
  329.232251 99.999997 999
  329.305022 1.2921 12
//