MassBank Record: WA000576



 Dexamethasone; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA000576
RECORD_TITLE: Dexamethasone; LC-ESI-Q; MS; POS; 45 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$NAME: Dexamethasone CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H29FO5 CH$EXACT_MASS: 392.19990 CH$SMILES: OCC(=O)C(O)(C(C)4)C(C)(C3)C([H])(C4)C([H])(C1)C(F)(C(O)3)C(C)(C=2)C(=CC(=O)C2)C1 CH$IUPAC: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 CH$LINK: CAS 50-02-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.890 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-052o-0988000000-d0b0c17165f84c7d9faf PK$NUM_PEAK: 164 PK$PEAK: m/z int. rel.int. 100 603 603 101 153 153 105 231 231 107 251 251 109 31 31 110 333 333 113 55 55 114 16 16 115 78 78 116 12 12 118 137 137 119 71 71 121 192 192 123 125 125 125 74 74 127 35 35 128 12 12 133 78 78 134 20 20 135 137 137 137 98 98 139 35 35 141 63 63 143 27 27 144 47 47 147 486 486 149 176 176 151 86 86 153 59 59 154 12 12 155 20 20 159 47 47 160 20 20 161 149 149 162 8 8 163 27 27 165 27 27 167 39 39 169 16 16 171 196 196 172 16 16 173 94 94 176 35 35 177 98 98 178 39 39 185 141 141 187 133 133 188 27 27 189 12 12 190 8 8 191 71 71 192 8 8 193 12 12 194 12 12 195 51 51 196 24 24 197 106 106 198 20 20 199 47 47 201 20 20 203 47 47 208 12 12 209 55 55 210 24 24 211 145 145 212 8 8 213 98 98 214 8 8 215 24 24 216 16 16 217 12 12 219 20 20 220 12 12 221 59 59 223 55 55 225 172 172 226 24 24 227 55 55 234 8 8 235 149 149 236 8 8 237 784 784 238 43 43 239 255 255 240 20 20 241 110 110 242 8 8 243 12 12 244 12 12 245 8 8 247 12 12 249 39 39 250 12 12 251 78 78 252 12 12 253 176 176 254 27 27 255 110 110 256 20 20 257 8 8 259 24 24 261 43 43 263 74 74 264 31 31 265 78 78 269 8 8 270 8 8 271 12 12 272 12 12 273 27 27 275 172 172 278 71 71 279 423 423 280 102 102 281 86 86 283 55 55 285 12 12 286 8 8 288 27 27 289 86 86 291 415 415 292 71 71 293 27 27 294 8 8 297 110 110 298 20 20 301 188 188 303 12 12 307 106 106 308 24 24 309 219 219 310 51 51 315 16 16 319 419 419 320 86 86 321 16 16 322 8 8 325 137 137 327 47 47 328 8 8 337 584 584 338 51 51 339 12 12 355 948 948 356 137 137 357 35 35 373 470 470 374 47 47 377 8 8 384 8 8 393 999 999 394 141 141 395 51 51 399 8 8 403 8 8 410 8 8 411 8 8 415 31 31 423 8 8 431 262 262 432 86 86 434 31 31 435 8 8 438 16 16 //