ACCESSION: MSBNK-EPA-ENTACT_AGILENT001556
RECORD_TITLE: Todralazine; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-000i-0900000000-4bfb1930cd70dba0233f
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.998537 3.462903 34
  102.034923 5.354431 53
  114.034923 4.953783 49
  142.041071 2.582271 25
  157.040736 3.62562 36
  185.046884 100.000002 999
  185.095846 1.494307 14
  231.088749 2.885858 28
//