ACCESSION: MSBNK-EPA-ENTACT_AGILENT001672
RECORD_TITLE: Vatalanib; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Vatalanib
CH$NAME: DTXSID5049073
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₅ClN₄
CH$EXACT_MASS: 346.0985242181
CH$SMILES: ClC1C=CC(=CC=1)NC1=NN=C(CC2C=CN=CC=2)C2C=CC=CC=21
CH$IUPAC: InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
CH$LINK: CAS 212141-54-3
CH$LINK: INCHIKEY YCOYDOIWSSHVCK-UHFFFAOYSA-N

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 347.1058006698
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-0009000000-6d50cd91526280d713e0
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
311.129123 1.592597 15
347.105801 100.000001 999
//