ACCESSION: MSBNK-EPA-ENTACT_AGILENT001964
RECORD_TITLE: AVE2865; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: AVE2865
CH$NAME: DTXSID5047376
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₇ClF₃N₃O₄
CH$EXACT_MASS: 455.0859683637
CH$SMILES: OC(=O)C1CCN(CC1)C1C=CC(F)=CC=1NC(=O)NC(=O)C1=CC(F)=C(F)C=C1Cl
CH$IUPAC: InChI=1S/C20H17ClF3N3O4/c21-13-9-15(24)14(23)8-12(13)18(28)26-20(31)25-16-7-11(22)1-2-17(16)27-5-3-10(4-6-27)19(29)30/h1-2,7-10H,3-6H2,(H,29,30)(H2,25,26,28,31)
CH$LINK: CAS 648917-13-9
CH$LINK: INCHIKEY KAJJGOCSAXKXBD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12148754

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$FOCUSED_ION: PRECURSOR_M/Z 454.078691912
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-2390000000-5d04d9cad23a566927a8
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.998537 24.402453 243
  135.0364 6.877437 68
  150.02349 1.728307 17
  151.031315 31.155258 311
  219.093915 99.999998 999
  220.097917 1.651545 16
//