ACCESSION: MSBNK-EPA-ENTACT_AGILENT001420
RECORD_TITLE: SSR504734; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0159-4890000000-a5ef182b58c22c83ffae
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  34.969401 51.225941 511
  104.050573 31.196295 311
  132.045487 16.84886 168
  137.072037 2.946346 29
  178.988086 49.354946 493
  215.118987 100.000002 999
  216.120544 2.220594 22
  275.056834 2.903024 29
  276.063029 2.929962 29
  395.114349 10.298266 102
//