MassBank Record: MSBNK-AGILENT-AG000025

Atrazine; ESI-QTOF; MS2; CE: 10; [M+H]+

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ACCESSION: MSBNK-AGILENT-AG000025
RECORD_TITLE: Atrazine; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

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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

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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 10

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

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PK$SPLASH: splash10-014i-0290000000-3966de77d1e0196b6e8b
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  97.991779 7.005965 69
  137.002678 13.11772 131
  137.997927 2.716063 27
  174.054099 16.174737 161
  216.10105 99.999997 999
//