ACCESSION: MSBNK-EPA-ENTACT_AGILENT002037
RECORD_TITLE: Tyrphostin; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0002-0090000000-98f3424cbe3380886fda
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  256.028313 6.522649 65
  263.070025 1.569721 15
  270.043963 6.58972 65
  284.023228 62.815088 627
  298.038878 27.76307 277
  299.046703 100 999
  314.070178 17.485964 174
//