MassBank Record: WA002397



 Mefloquine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002397
RECORD_TITLE: Mefloquine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Mefloquine CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H16F6N2O CH$EXACT_MASS: 378.11668 CH$SMILES: C(C3)CNC(C3)C(O)c(c2)c(c1)c(nc(C(F)(F)F)2)c(cc1)C(F)(F)F CH$IUPAC: InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2 CH$LINK: CAS 53230-10-7 CH$LINK: INCHIKEY XEEQGYMUWCZPDN-UHFFFAOYSA-N
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 14.930 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03k9-0093000000-da803a78f2a1929375c8 PK$NUM_PEAK: 159 PK$PEAK: m/z int. rel.int. 113 129 129 115 55 55 154 12 12 166 24 24 168 12 12 171 12 12 177 12 12 178 20 20 179 20 20 180 16 16 181 20 20 182 35 35 183 63 63 184 24 24 189 71 71 190 27 27 191 27 27 194 12 12 195 27 27 196 35 35 197 24 24 201 12 12 202 67 67 203 55 55 204 35 35 205 20 20 206 27 27 207 16 16 208 27 27 209 51 51 210 43 43 211 12 12 212 24 24 214 192 192 215 125 125 216 106 106 217 59 59 218 20 20 219 20 20 220 35 35 221 114 114 222 102 102 223 63 63 224 78 78 225 20 20 226 31 31 227 43 43 228 74 74 229 94 94 230 118 118 231 67 67 232 35 35 233 24 24 234 125 125 235 133 133 236 110 110 237 43 43 238 141 141 239 43 43 240 86 86 241 39 39 242 27 27 243 86 86 244 106 106 245 24 24 246 529 529 247 255 255 248 98 98 249 223 223 250 149 149 251 78 78 252 247 247 253 125 125 254 67 67 255 59 59 256 31 31 257 31 31 258 172 172 259 149 149 260 212 212 261 118 118 262 63 63 263 106 106 264 795 795 265 168 168 266 278 278 267 114 114 268 35 35 269 43 43 270 227 227 271 999 999 272 478 478 273 380 380 274 145 145 275 86 86 276 51 51 277 39 39 278 666 666 279 384 384 280 176 176 281 172 172 282 90 90 283 86 86 284 372 372 285 204 204 286 145 145 287 59 59 288 47 47 289 47 47 290 106 106 291 345 345 292 184 184 293 392 392 294 86 86 295 16 16 296 325 325 297 94 94 298 255 255 299 223 223 300 102 102 301 317 317 302 243 243 303 43 43 304 74 74 305 94 94 306 35 35 307 16 16 309 16 16 311 43 43 312 63 63 313 451 451 314 125 125 315 20 20 316 90 90 317 39 39 318 35 35 319 106 106 320 94 94 321 670 670 322 129 129 323 20 20 324 47 47 325 24 24 326 31 31 331 67 67 332 20 20 333 419 419 334 71 71 339 251 251 340 82 82 341 157 157 342 39 39 354 12 12 359 16 16 361 936 936 362 196 196 363 16 16 379 380 380 380 74 74 //

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