MassBank Record: MSBNK-AGILENT-AG000026
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
//