ACCESSION: MSBNK-EPA-ENTACT_AGILENT002032
RECORD_TITLE: Tyrphostin; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tyrphostin
CH$NAME: DTXSID0051447
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄ClN₃O₂
CH$EXACT_MASS: 315.0774544234
CH$SMILES: COC1=CC2=C(NC3C=C(Cl)C=CC=3)N=CN=C2C=C1OC
CH$IUPAC: InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
CH$LINK: CAS 175178-82-2
CH$LINK: INCHIKEY GFNNBHLJANVSQV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2051

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$FOCUSED_ION: PRECURSOR_M/Z 316.0847308751
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0009000000-10dda2fb57b53a394eb5
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
300.053431 1.861256 18
316.084731 100 999
//