ACCESSION: MSBNK-EPA-ENTACT_AGILENT002033
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0udi-0059000000-bae3e6e084d7cd04a546
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  102.09134 1.802264 18
  110.999604 1.054496 10
  190.061103 1.087795 10
  207.079099 1.626039 16
  235.074013 1.161426 11
  236.081838 2.925506 29
  242.047464 7.471596 74
  243.055289 1.472635 14
  254.047951 4.600873 45
  255.055776 4.778176 47
  264.076753 3.673472 36
  270.042866 6.345739 63
  271.050691 4.941552 49
  272.058516 23.006378 229
  282.042866 2.781126 27
  298.037781 3.178951 31
  300.053431 99.999995 999
  301.061256 2.812759 28
  316.084731 2.262632 22
//