ACCESSION: MSBNK-EPA-ENTACT_AGILENT001225
RECORD_TITLE: CP-457677; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-457677
CH$NAME: DTXSID2047278
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₁FN₂O₃
CH$EXACT_MASS: 380.1536207516
CH$SMILES: CC(C)(O)C1C=CC(CNC(=O)C2=CC=CN=C2OC2C=CC(F)=CC=2)=CC=1
CH$IUPAC: InChI=1S/C22H21FN2O3/c1-22(2,27)16-7-5-15(6-8-16)14-25-20(26)19-4-3-13-24-21(19)28-18-11-9-17(23)10-12-18/h3-13,27H,14H2,1-2H3,(H,25,26)
CH$LINK: CAS 214535-77-0
CH$LINK: INCHIKEY UHBUSMAHWHZQKS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10407399

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$FOCUSED_ION: PRECURSOR_M/Z 381.1608972033
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-01q9-0914000000-57553044ed033e1aea05
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43.017841 8.721376 87
  57.033491 4.178312 41
  91.054227 1.319559 13
  107.085527 1.360742 13
  131.085527 99.999997 999
  131.130466 2.655663 26
  149.096091 27.31489 272
  216.045533 28.519662 284
  363.150333 60.346635 602
//