MassBank Record: MSBNK-AGILENT-AG000027
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
//