MassBank Record: WA001269



 Lamotrigine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001269
RECORD_TITLE: Lamotrigine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Lamotrigine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H7Cl2N5 CH$EXACT_MASS: 255.00785 CH$SMILES: Nc(n2)nc(N)c(n2)c(c1)c(Cl)c(Cl)cc1 CH$IUPAC: InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) CH$LINK: CAS 84057-84-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.700 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0kmi-0900000000-734684430c4cebf862bc PK$NUM_PEAK: 115 PK$PEAK: m/z int. rel.int. 109 995 995 110 35 35 111 415 415 112 43 43 113 12 12 114 176 176 115 458 458 116 270 270 117 51 51 118 90 90 119 8 8 120 43 43 123 588 588 124 799 799 125 372 372 126 266 266 127 188 188 128 129 129 129 137 137 130 121 121 131 384 384 133 431 431 135 278 278 136 161 161 137 51 51 138 360 360 139 145 145 140 94 94 141 67 67 142 39 39 143 55 55 145 513 513 146 16 16 147 341 341 148 98 98 149 118 118 150 145 145 151 760 760 152 999 999 153 345 345 154 404 404 155 67 67 156 20 20 157 498 498 158 12 12 159 791 791 160 482 482 161 384 384 162 270 270 163 188 188 164 396 396 165 521 521 166 584 584 167 208 208 168 180 180 169 35 35 171 262 262 172 623 623 173 881 881 174 529 529 175 478 478 176 200 200 177 161 161 178 141 141 179 98 98 180 67 67 181 24 24 182 12 12 184 298 298 185 137 137 186 298 298 187 478 478 188 102 102 189 262 262 190 39 39 191 63 63 192 24 24 193 20 20 194 39 39 195 74 74 196 16 16 197 74 74 199 35 35 200 39 39 201 47 47 202 20 20 203 24 24 204 20 20 206 8 8 211 325 325 212 200 200 213 247 247 214 157 157 215 51 51 216 27 27 220 71 71 221 8 8 222 35 35 225 8 8 226 8 8 229 71 71 231 55 55 233 12 12 239 8 8 252 16 16 254 8 8 256 317 317 257 16 16 258 204 204 259 20 20 260 39 39 294 8 8 296 8 8 511 16 16 513 20 20 //