ACCESSION: MSBNK-AGILENT-AG000027
RECORD_TITLE: Atrazine; ESI-QTOF; MS2; CE: 20; [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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 216.10105
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-4920000000-8e5c3b1b2c0c12088a7c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  43.029075 1.1737 11
  43.054227 3.4294 34
  68.024324 3.842593 38
  71.060375 3.290622 32
  79.005752 11.6009 115
  96.055624 18.631587 186
  97.991779 28.132058 281
  104.001001 12.507321 124
  110.046122 1.213796 12
  132.032301 13.350177 133
  138.077422 4.637621 46
  146.022799 9.508335 94
  174.054099 100.000002 999
  216.10105 35.210274 351
//