ACCESSION: MSBNK-Waters-WA001270
RECORD_TITLE: Lamotrigine; 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$NAME: Lamotrigine
CH$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$LINK: CAS 84057-84-1
CH$LINK: INCHIKEY PYZRQGJRPPTADH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2023195

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 11.700 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$SPLASH: splash10-0a4i-0940000000-4bb138f6e31cc73737d3
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  109 43 43
  111 20 20
  115 51 51
  116 24 24
  123 149 149
  124 90 90
  125 63 63
  126 35 35
  127 39 39
  128 35 35
  129 31 31
  130 16 16
  131 102 102
  132 8 8
  133 47 47
  135 27 27
  136 35 35
  137 12 12
  138 74 74
  139 35 35
  140 35 35
  141 12 12
  142 8 8
  143 16 16
  145 98 98
  147 78 78
  148 20 20
  149 20 20
  150 39 39
  151 329 329
  152 333 333
  153 133 133
  154 118 118
  155 20 20
  157 215 215
  159 454 454
  160 145 145
  161 262 262
  162 90 90
  163 59 59
  164 74 74
  165 294 294
  166 466 466
  167 129 129
  168 149 149
  169 8 8
  171 47 47
  172 427 427
  173 215 215
  174 396 396
  175 114 114
  176 137 137
  177 43 43
  178 110 110
  179 63 63
  180 39 39
  181 27 27
  184 180 180
  185 59 59
  186 227 227
  187 392 392
  188 90 90
  189 243 243
  190 31 31
  191 43 43
  192 12 12
  193 27 27
  194 27 27
  195 24 24
  196 12 12
  197 43 43
  199 31 31
  200 24 24
  201 12 12
  202 16 16
  203 8 8
  204 8 8
  211 443 443
  212 184 184
  213 317 317
  214 157 157
  215 63 63
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  225 12 12
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  231 51 51
  233 12 12
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  241 8 8
  252 20 20
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  256 999 999
  257 43 43
  258 740 740
  259 63 63
  260 118 118
  261 12 12
  511 8 8
  513 8 8
//