ACCESSION: MSBNK-EPA-ENTACT_AGILENT000995
RECORD_TITLE: Dipropyl hexanedioate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0a4i-9000000000-b60f2619b9d3d26c62a1
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.038577 6.180875 61
  43.017841 5.631098 56
  43.054227 12.564831 125
  53.038577 1.347158 13
  55.054227 100.000004 999
  55.075356 1.719475 17
  59.049141 19.830236 198
  83.049141 29.070818 290
  101.059706 8.063049 80
  111.044056 2.766067 27
//