MassBank Record: MSJ01072



 Atrazine; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01072
RECORD_TITLE: Atrazine; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (2016.12.28)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Atrazine CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C8H14ClN5 CH$EXACT_MASS: 215.09377 CH$SMILES: CCNc(n1)nc(NC(C)C)nc(Cl)1 CH$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$LINK: INCHIKEY MXWJVTOOROXGIU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2256
AC$INSTRUMENT: GCMS-QP2010 Plus, Shimadzu AC$INSTRUMENT_TYPE: GC-EI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION EI AC$CHROMATOGRAPHY: COLUMN_NAME Ptx-5MS(RESTEK), 0.32 mm I.D. x 30 m, df=0.25 microm AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 80 C (1 min)-20 C/min - 180 C - 5 C/min - 330C (10 min) AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 260 C AC$CHROMATOGRAPHY: RETENTION_TIME 8.0 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 215.09
PK$SPLASH: splash10-0uxu-9650000000-8ed90c24a7dac8c0763f PK$NUM_PEAK: 111 PK$PEAK: m/z int. rel.int. 40 18 18 41 158 158 42 189 189 43 503 503 44 253 253 45 8 8 53 25 25 54 15 15 55 68 68 56 15 15 57 32 32 58 644 644 59 28 28 62 55 55 64 15 15 67 29 29 68 341 341 69 247 247 70 29 29 71 250 250 72 7 7 74 7 7 78 7 7 79 29 29 80 7 7 81 23 23 82 10 10 83 42 42 84 6 6 85 7 7 87 39 39 88 9 9 89 17 17 90 13 13 91 58 58 92 267 267 94 116 116 95 31 31 96 125 125 97 27 27 100 46 46 101 17 17 103 5 5 104 122 122 105 114 114 106 48 48 107 42 42 108 9 9 109 13 13 110 57 57 111 11 11 116 5 5 117 17 17 119 13 13 120 6 6 121 12 12 122 184 184 123 50 50 129 25 25 130 67 67 131 31 31 132 187 187 133 18 18 134 58 58 135 5 5 136 31 31 137 28 28 138 180 180 139 14 14 143 16 16 144 5 5 145 102 102 146 11 11 147 33 33 148 6 6 152 30 30 155 9 9 156 5 5 157 29 29 158 122 122 159 25 25 160 37 37 161 7 7 164 23 23 165 5 5 170 7 7 171 5 5 172 173 173 173 316 316 174 81 81 175 94 94 176 10 10 180 18 18 184 8 8 186 20 20 187 37 37 188 7 7 189 11 11 198 21 21 199 6 6 200 999 999 201 90 90 202 318 318 203 31 31 212 11 11 213 7 7 214 60 60 215 639 639 216 77 77 217 213 213 218 21 21 //