ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010427
RECORD_TITLE: 2-CHLORO-4,6-BIS(ETHYLAMINO)-1,3,5-TRIAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: 2-CHLORO-4,6-BIS(ETHYLAMINO)-1,3,5-TRIAZINE
CH$NAME: SIMAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂ClN₅
CH$EXACT_MASS: 201.07812
CH$SMILES: CCNc(n1)nc(Cl)nc(NCC)1
CH$IUPAC: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
CH$LINK: INCHIKEY ODCWYMIRDDJXKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021268

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$SPLASH: splash10-0udr-6940000000-1564d55a36848813fb2f
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  40 1.87 19
  41 1.62 16
  42 6.21 62
  43 19.57 196
  44 29.66 297
  45 1.49 15
  53 2.18 22
  54 1.48 15
  55 9.73 97
  62 4.28 43
  64 1.39 14
  67 1.57 16
  68 22.96 230
  69 9.03 90
  70 2.71 27
  71 18.12 181
  72 1.04 10
  78 1.06 11
  79 1.95 20
  80 1.78 18
  81 1.97 20
  83 1.7 17
  85 18.89 189
  86 1.71 17
  87 5.92 59
  89 1.54 15
  90 1.26 13
  91 10.03 100
  92 1.1 11
  93 11.83 118
  94 3.99 40
  95 3.02 30
  96 19.54 195
  97 1.82 18
  104 7.5 75
  105 2.29 23
  106 2.73 27
  109 1.11 11
  110 4.11 41
  116 1.21 12
  117 3.94 39
  119 1.49 15
  121 1.05 11
  122 4.79 48
  123 10.33 103
  129 4.18 42
  130 3.57 36
  131 2.57 26
  132 10.16 102
  133 1.12 11
  134 3.13 31
  136 1.27 13
  137 1.37 14
  138 16.98 170
  139 1.45 15
  143 4.7 47
  144 1.45 15
  145 12.59 126
  146 1.51 15
  147 3.72 37
  157 2.26 23
  158 25.43 254
  159 4.02 40
  160 7.79 78
  161 2.04 20
  166 3.75 38
  170 1.43 14
  172 13.5 135
  173 42.63 426
  174 7.11 71
  175 15.27 153
  176 1.39 14
  184 1.4 14
  186 61.77 618
  187 6.05 61
  188 20.73 207
  189 1.49 15
  198 1.97 20
  200 14.78 148
  201 99.99 999
  202 14.25 143
  203 35.97 360
  204 3.57 36
//