ACCESSION: MSBNK-EPA-ENTACT_AGILENT001558
RECORD_TITLE: Todralazine; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Todralazine
CH$NAME: DTXSID4044664
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₄O₂
CH$EXACT_MASS: 232.096025657
CH$SMILES: CCOC(=O)NNC1=NN=CC2=CC=CC=C21
CH$IUPAC: InChI=1S/C11H12N4O2/c1-2-17-11(16)15-14-10-9-6-4-3-5-8(9)7-12-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
CH$LINK: CAS 14679-73-3
CH$LINK: INCHIKEY WGZDBVOTUVNQFP-UHFFFAOYSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 231.0887492053
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9500000000-1481660cf0de9d4847fd
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.998537 100.000001 999
  42.022347 1.91083 19
  42.034923 1.135696 11
  43.018938 1.592644 15
  45.034588 5.055811 50
  64.019273 2.339351 23
  74.003623 5.53223 55
  102.034923 40.990508 409
  111.045153 1.540415 15
  114.034923 20.794925 207
  128.037997 2.620211 26
  158.037328 2.421646 24
//