ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010417
RECORD_TITLE: 6-CHLORO-N-ETHYL-N'-(1-METHYLETHYL)-1,3,5-TRIAZINE-2,4-DIAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: 6-CHLORO-N-ETHYL-N'-(1-METHYLETHYL)-1,3,5-TRIAZINE-2,4-DIAMINE
CH$NAME: ATRAZINE
CH$COMPOUND_CLASS: N/A
CH$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: COMPTOX DTXSID9020112

AC$INSTRUMENT: JEOL JMS-DX-303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0uxr-6690000000-583f3e9640ef44c789ce
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  39 1.55 16
  41 5.41 54
  42 7.02 70
  43 18.39 184
  53 1.64 16
  55 3.56 36
  57 1.49 15
  58 37.89 379
  59 1.27 13
  62 3.42 34
  64 1.18 12
  67 1.24 12
  68 17.19 172
  69 12.04 120
  70 1.32 13
  71 12.42 124
  79 1.66 17
  81 1.04 10
  83 2.5 25
  87 2.58 26
  90 1.04 10
  91 3.1 31
  92 20.6 206
  93 7.88 79
  94 5.69 57
  95 2.06 21
  96 7.62 76
  97 1.74 17
  99 1.23 12
  100 3.21 32
  101 1.39 14
  104 7.72 77
  105 5.3 53
  106 2.42 24
  107 2.2 22
  110 3.65 37
  121 1.09 11
  122 10.48 105
  123 3.07 31
  129 1.88 19
  130 4.36 44
  131 2.18 22
  132 12.24 122
  133 1.28 13
  134 3.75 38
  136 2.05 21
  137 1.83 18
  138 9.5 95
  145 6.96 70
  147 2.53 25
  152 1.68 17
  157 1.85 19
  158 11.09 111
  159 2.17 22
  160 3.6 36
  164 1.63 16
  172 14.36 144
  173 29.49 295
  174 6.7 67
  175 9.53 95
  180 1.82 18
  184 1.18 12
  186 2.37 24
  187 3.89 39
  198 2.13 21
  200 99.99 999
  201 10.19 102
  202 31.05 311
  203 3.09 31
  214 6.21 62
  215 62.68 627
  216 8.32 83
  217 19.41 194
  218 2.89 29
//