ACCESSION: MSBNK-EPA-ENTACT_AGILENT001927
RECORD_TITLE: FR145237; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: FR145237
CH$NAME: DTXSID6048171
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₂₂ClF₃N₂O₂
CH$EXACT_MASS: 534.1321902712
CH$SMILES: CC1=CC2C(C3C=CC(Cl)=CC=3)=C(CN(CC3C=CC=CC=3)C(=O)NC3C(F)=CC(F)=CC=3F)OC=2C=C1
CH$IUPAC: InChI=1S/C30H22ClF3N2O2/c1-18-7-12-26-23(13-18)28(20-8-10-21(31)11-9-20)27(38-26)17-36(16-19-5-3-2-4-6-19)30(37)35-29-24(33)14-22(32)15-25(29)34/h2-15H,16-17H2,1H3,(H,35,37)
CH$LINK: CAS 146011-65-6
CH$LINK: INCHIKEY GJRPAGNTTAPJCC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9850056

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$FOCUSED_ION: PRECURSOR_M/Z 535.1394667229
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9100000000-7596c2b79ffe5644663a
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  65.038577 1.222637 12
  91.054227 99.999998 999
  91.091755 2.815688 28
  91.105961 1.808174 18
  120.080776 14.064929 140
  192.093352 2.957836 29
  220.088266 7.149121 71
  255.056432 3.932694 39
//