ACCESSION: MSBNK-EPA-ENTACT_AGILENT000968
RECORD_TITLE: CP-122721; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-122721
CH$NAME: DTXSID9047251
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₃F₃N₂O₂
CH$EXACT_MASS: 380.1711625931
CH$SMILES: COC1C=CC(=CC=1CNC1CCCNC1C1C=CC=CC=1)OC(F)(F)F
CH$IUPAC: InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3
CH$LINK: CAS 145742-28-5
CH$LINK: INCHIKEY ZIWFCOIGUNPHPM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9821217

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$FOCUSED_ION: PRECURSOR_M/Z 381.1784390448
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0900000000-04925d905fec537e62c8
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  82.065126 4.014392 40
  91.054227 6.166849 61
  109.044805 2.036044 20
  115.054227 1.721161 17
  117.069877 2.362948 23
  128.062052 1.350618 13
  130.065126 2.248952 22
  131.085527 2.736348 27
  132.080776 15.996996 159
  160.112076 99.999998 999
  160.157015 3.733112 37
  175.036526 4.861889 48
  205.047091 4.095889 40
//