ACCESSION: MSBNK-EPA-ENTACT_AGILENT001422
RECORD_TITLE: SSR504734; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: SSR504734
CH$NAME: DTXSID3047348
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₀ClF₃N₂O
CH$EXACT_MASS: 396.1216255851
CH$SMILES: O=C(NC(C1CCCCN1)C1C=CC=CC=1)C1=CC=CC(=C1Cl)C(F)(F)F
CH$IUPAC: InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)
CH$LINK: CAS 742693-38-5
CH$LINK: INCHIKEY MEZRZVWPLXVLSO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9954540

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 395.1143491334
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-9200000000-1130f8b14f5f6dab389c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  34.969401 100 999
  34.993866 1.597117 15
  41.998537 2.037643 20
  77.039674 6.113695 61
  104.050573 15.958662 159
  109.077122 2.727439 27
  132.045487 2.868052 28
  137.072037 4.279012 42
  145.027058 4.674063 46
  215.118987 1.756504 17
  235.043891 2.936359 29
  236.051716 3.10819 31
  256.058431 1.260313 12
  275.055204 1.26702 12
//