ACCESSION: MSBNK-EPA-ENTACT_AGILENT001557
RECORD_TITLE: Todralazine; ESI-QTOF; MS2; CE: 20; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 233.1033021087
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-08g0-1910000000-503f2afbabcf49493bb8
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  89.038577 29.589899 295
  104.049476 2.526705 25
  116.049476 8.490315 84
  117.057301 2.327135 23
  130.05255 1.416993 14
  131.060375 10.170819 101
  132.0682 15.126519 151
  144.055624 1.30539 13
  145.063449 18.353867 183
  159.066523 27.061927 270
  160.074348 2.240088 22
  160.0995 1.204278 12
  161.082173 99.999995 999
  187.061437 49.03219 489
  187.110399 1.040117 10
  205.072002 25.898035 258
  233.103302 13.9774 139
//