ACCESSION: MSBNK-EPA-ENTACT_AGILENT002035
RECORD_TITLE: Tyrphostin; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0ab9-0090000000-613f4e02889b01595dd7
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  34.969401 7.975134 79
  41.003288 1.262019 12
  118.029837 1.594342 15
  151.006849 1.272009 12
  192.056721 13.359164 133
  201.022012 3.968609 39
  206.072371 1.156206 11
  219.04381 1.583462 15
  220.051635 38.72802 386
  228.033399 9.158381 91
  229.017414 2.120839 21
  232.051635 1.599619 15
  233.05946 3.407821 34
  234.067285 5.8945 58
  238.017748 9.873154 98
  239.025574 1.620943 16
  255.020488 4.300499 42
  256.028313 99.999999 999
  257.035651 1.378643 13
  268.028313 10.55356 105
  270.043963 14.432862 144
  283.015403 3.867157 38
  284.023228 19.039677 190
  296.023228 2.235118 22
  298.038878 11.52205 115
//