ACCESSION: MSBNK-AGILENT-AG000026
RECORD_TITLE: Atrazine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Atrazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄ClN₅
CH$EXACT_MASS: 215.09377
CH$SMILES: CCNC1N=C(Cl)N=C(NC(C)C)N=1
CH$IUPAC: InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
CH$LINK: CAS 1912-24-9
CH$LINK: CHEMSPIDER 2169
CH$LINK: INCHIKEY MXWJVTOOROXGIU-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$FOCUSED_ION: PRECURSOR_M/Z 216.10105
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0gbc-9300000000-cdeffe2d087f10aebaee
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.038577 4.654683 46
  43.030904 45.106442 450
  43.054227 11.624934 116
  59.060375 1.540866 15
  61.979203 17.168412 171
  68.024324 100.000003 999
  71.060375 22.739103 227
  79.005752 36.34399 363
  90.010503 1.335031 13
  96.055624 25.122809 250
  104.001001 68.991087 689
  104.093072 1.000182 9
  110.046122 5.325347 53
  132.032301 7.988379 79
  138.077422 2.158071 21
  146.022799 6.931781 69
  174.054099 3.399366 33
//