ACCESSION: MSBNK-EPA-ENTACT_AGILENT000150
RECORD_TITLE: Diphenyl isophthalate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-004i-0090000000-624e3381851f6556a100
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
225.054621 99.999997 999
319.096485 6.458774 64
//