MassBank Record: MSBNK-EPA-ENTACT_AGILENT002034
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002034
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 314.0701779717
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-03di-0029000000-73cca424a5d7e2fc35d1
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
284.023228 2.391604 23
298.038878 1.328301 13
299.046703 26.594892 265
314.070178 100.000001 999
//