ACCESSION: MSBNK-EPA-ENTACT_AGILENT001611
RECORD_TITLE: SAR102608; ESI-QTOF; MS2; CE: 20; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 360.126611918
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-01ot-0904000000-10a59b170bee4fb0abea
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  148.056801 100 999
  148.10174 4.819293 48
  148.120384 2.602334 25
  149.05946 1.213517 12
  189.046965 3.559034 35
  360.126612 60.897526 608
//