ACCESSION: MSBNK-EPA-ENTACT_AGILENT000148
RECORD_TITLE: Diphenyl isophthalate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Diphenyl isophthalate
CH$NAME: DTXSID8037752
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₄O₄
CH$EXACT_MASS: 318.0892089358
CH$SMILES: O=C(OC1C=CC=CC=1)C1=CC(=CC=C1)C(=O)OC1C=CC=CC=1
CH$IUPAC: InChI=1S/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H
CH$LINK: CAS 744-45-6
CH$LINK: INCHIKEY FHESUNXRPBHDQM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:69779

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$FOCUSED_ION: PRECURSOR_M/Z 319.0964853875
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-0090000000-5e4cc0b94004912d06f5
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  104.025666 2.500851 24
  141.069877 2.742203 27
  153.069877 1.005831 10
  169.064791 1.653856 16
  197.059706 2.422033 24
  225.054621 100.000002 999
//