ACCESSION: MSBNK-EPA-ENTACT_AGILENT000149
RECORD_TITLE: Diphenyl isophthalate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0udl-0900000000-c1dd2f5be8fe85c6f96a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  50.015101 1.011246 10
  76.030752 23.596388 235
  77.038577 1.134663 11
  104.025666 100.000001 999
  104.062052 1.602367 16
  105.033491 1.41614 14
  115.054227 20.199525 201
  141.069877 94.615862 945
  151.054227 1.889704 18
  152.062052 3.428746 34
  153.069877 2.764716 27
  168.056966 3.587263 35
  169.064791 10.620954 106
  171.044056 4.907186 49
  197.059706 5.339153 53
  225.054621 9.467195 94
//