ACCESSION: MSBNK-EPA-ENTACT_AGILENT000411
RECORD_TITLE: Di(propylene glycol) dibenzoate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Di(propylene glycol) dibenzoate
CH$NAME: DTXSID6027921
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₂O₅
CH$EXACT_MASS: 342.1467238133
CH$SMILES: CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1
CH$IUPAC: InChI=1S/C20H22O5/c1-15(24-19(21)17-9-5-3-6-10-17)13-23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
CH$LINK: CAS 27138-31-4
CH$LINK: INCHIKEY IZYUWBATGXUSIK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101560

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$FOCUSED_ION: PRECURSOR_M/Z 343.154000265
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-1900000000-7a6c89e87c853d81280a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  41.038577 2.250867 22
  77.038577 18.791516 187
  105.033491 100.000002 999
  105.069877 2.286689 22
  163.075356 2.786341 27
//