ACCESSION: MSBNK-Waters-WA001298
RECORD_TITLE: Clonidine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Clonidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉Cl₂N₃
CH$EXACT_MASS: 229.01735
CH$SMILES: Clc(c1)c(N=C(N2)NCC2)c(Cl)cc1
CH$IUPAC: InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
CH$LINK: CAS 4205-90-7
CH$LINK: INCHIKEY GJSURZIOUXUGAL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022846

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 9.200 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03e9-0920000000-d12e5b8ba757f2fe0e6c
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  102 8 8
  103 16 16
  104 86 86
  105 59 59
  106 24 24
  108 8 8
  109 63 63
  110 8 8
  111 31 31
  113 16 16
  114 31 31
  115 47 47
  116 43 43
  117 71 71
  118 129 129
  119 71 71
  120 12 12
  123 8 8
  124 364 364
  125 59 59
  126 208 208
  127 74 74
  128 51 51
  129 39 39
  130 47 47
  131 196 196
  132 204 204
  133 325 325
  134 8 8
  135 149 149
  136 47 47
  137 27 27
  138 121 121
  139 51 51
  140 74 74
  141 31 31
  142 59 59
  143 16 16
  144 27 27
  145 71 71
  146 16 16
  147 31 31
  148 16 16
  149 12 12
  150 16 16
  151 204 204
  152 204 204
  153 333 333
  154 110 110
  155 86 86
  156 20 20
  157 16 16
  158 219 219
  159 243 243
  160 999 999
  161 67 67
  162 482 482
  163 55 55
  164 223 223
  165 121 121
  166 141 141
  167 106 106
  168 67 67
  169 27 27
  170 12 12
  171 8 8
  172 290 290
  173 106 106
  174 223 223
  175 59 59
  176 51 51
  177 24 24
  178 31 31
  179 20 20
  180 16 16
  181 8 8
  185 94 94
  186 145 145
  187 548 548
  188 114 114
  189 306 306
  190 31 31
  191 51 51
  192 16 16
  194 270 270
  195 51 51
  196 110 110
  197 20 20
  198 8 8
  201 20 20
  203 12 12
  205 8 8
  211 8 8
  213 478 478
  214 16 16
  215 317 317
  216 16 16
  217 55 55
  228 20 20
  230 885 885
  231 43 43
  232 603 603
  233 43 43
  234 106 106
  235 8 8
//