ACCESSION: MSBNK-EPA-ENTACT_AGILENT001297
RECORD_TITLE: SAR115740; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: SAR115740
CH$NAME: DTXSID1047366
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₁₇F₂N₃O
CH$EXACT_MASS: 401.1339685868
CH$SMILES: O=C(NC1C=C2C=CNC2=CC=1)C1=CC2=CC(F)=CC=C2N1CC1=CC(F)=CC=C1
CH$IUPAC: InChI=1S/C24H17F2N3O/c25-18-3-1-2-15(10-18)14-29-22-7-4-19(26)11-17(22)13-23(29)24(30)28-20-5-6-21-16(12-20)8-9-27-21/h1-13,27H,14H2,(H,28,30)
CH$LINK: INCHIKEY OCSHTBUKRNOLMC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:53316382

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 402.1412450385
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udl-0370900000-79f8db1d7c399620f0f4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  109.044605 8.69117 86
  131.060375 5.1107 51
  132.0682 2.063277 20
  136.055704 12.92672 129
  159.055289 7.824189 78
  162.034968 5.275393 52
  171.055289 1.261568 12
  239.097903 1.871783 18
  241.113553 2.815664 28
  244.093232 70.192544 701
  244.144439 3.107397 31
  267.092818 5.910337 59
  293.094749 1.418558 14
  402.141245 99.999999 999
//