ACCESSION: MSBNK-EPA-ENTACT_AGILENT001555
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-000i-7900000000-3fd657f02c30a019dc9e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  63.022927 2.254431 22
  77.038577 5.255557 52
  89.038577 99.999997 999
  89.070939 2.786173 27
  89.083515 1.578736 15
  90.033826 1.141434 11
  90.046402 13.405701 133
  103.041651 24.064854 240
  104.049476 15.86489 158
  105.057301 3.094884 30
  116.049476 6.798357 67
  117.044725 1.287433 12
  117.057301 32.927994 328
  118.05255 1.73199 17
  129.044725 1.660189 16
  130.05255 8.887965 88
  131.060375 12.150031 121
  132.0682 10.333052 103
  144.055624 6.04223 60
  145.063449 23.8581 238
  159.066523 5.946962 59
  161.082173 4.334113 43
  187.061437 1.015081 10
//