ACCESSION: MSBNK-EPA-ENTACT_AGILENT001607
RECORD_TITLE: SAR102608; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: SAR102608
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₆FN₅O
CH$EXACT_MASS: 361.1338883697
CH$SMILES: CC1N=C(N=CC=1C(=O)NN1C=C(C)C2=CC(F)=CC=C12)C1=CC=CC=N1
CH$IUPAC: InChI=1S/C20H16FN5O/c1-12-11-26(18-7-6-14(21)9-15(12)18)25-20(27)16-10-23-19(24-13(16)2)17-5-3-4-8-22-17/h3-11H,1-2H3,(H,25,27)
CH$LINK: CAS 1068967-96-3
CH$LINK: INCHIKEY YNVKAENVJKEMOU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:25099474

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$FOCUSED_ION: PRECURSOR_M/Z 362.1411648214
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0009000000-8d96a8a69f9b1ca9e5ec
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  171.079099 2.521643 25
  186.089998 1.930267 19
  198.066188 2.994249 29
  214.084912 6.233999 62
  362.141165 99.999997 999
//