ACCESSION: MSBNK-MSSJ-MSJ01072
RECORD_TITLE: Atrazine; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (Created 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
CH$LINK: COMPTOX DTXSID9020112

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
//