ACCESSION: MSBNK-EPA-ENTACT_AGILENT001226
RECORD_TITLE: CP-457677; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00lu-5930000000-ed12442c32267d7c9365
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  43.017841 49.30103 492
  43.041651 1.111684 11
  57.033491 17.850535 178
  59.049141 1.007657 10
  91.054227 24.844247 248
  103.054227 1.04923 10
  105.069877 4.749318 47
  107.085527 13.480136 134
  115.054227 2.724272 27
  116.062052 8.151287 81
  119.085527 1.2703 12
  121.101177 1.343098 13
  129.069877 5.513569 55
  131.085527 99.999999 999
  131.130466 2.044279 20
  133.044805 1.651632 16
  134.072616 7.633578 76
  149.096091 5.717928 57
  160.055704 1.62291 16
  188.050618 6.096956 60
  216.045533 57.544021 574
//