ACCESSION: MSBNK-EPA-ENTACT_AGILENT000967
RECORD_TITLE: CP-122721; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03di-0901000000-03ed27cde62ed98412b1
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  160.112076 100.000004 999
  160.157015 4.322127 43
  205.047091 2.798964 27
  381.178439 13.343219 133
//