ACCESSION: MSBNK-EPA-ENTACT_AGILENT000996
RECORD_TITLE: Dipropyl hexanedioate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Dipropyl hexanedioate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₄
CH$EXACT_MASS: 230.151809191
CH$SMILES: CCCOC(=O)CCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
CH$LINK: CAS 106-19-4
CH$LINK: INCHIKEY NKOUWLLFHNBUDW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7790

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$FOCUSED_ION: PRECURSOR_M/Z 231.1590856427
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0ik9-3900000000-749886bc50b06ce9543b
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.038577 1.007925 10
  43.017841 1.96565 19
  43.054227 5.675297 56
  55.054227 25.119783 250
  59.049141 6.018334 60
  83.049141 29.89579 298
  101.059706 77.050087 769
  111.044056 100.000002 999
  111.080441 1.224626 12
  129.054621 10.572265 105
  143.106656 2.009809 20
  171.101571 1.853948 18
//