MassBank Record: WA002346



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

ACCESSION: WA002346
RECORD_TITLE: Triamcinolone acetonide; 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$NAME: Triamcinolone acetonide CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H31FO6 CH$EXACT_MASS: 434.21047 CH$SMILES: C(C3O)C(C4(C(=O)CO)5)(C(CC4OC(C)(C)O5)(C(C32F)([H])CCC(C2(C)1)=CC(=O)C=C1)[H])C CH$IUPAC: InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 CH$LINK: CAS 76-25-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.330 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: splash10-05fs-0940000000-cdd77d21f3fe78b18130 PK$NUM_PEAK: 152 PK$PEAK: m/z int. rel.int. 103 47 47 105 274 274 106 27 27 107 215 215 109 94 94 111 39 39 113 16 16 115 106 106 117 121 121 118 153 153 119 165 165 121 999 999 122 51 51 123 94 94 127 12 12 128 74 74 129 63 63 130 39 39 131 200 200 132 118 118 133 118 118 135 196 196 136 20 20 137 51 51 139 20 20 140 16 16 141 63 63 142 47 47 143 165 165 144 59 59 145 290 290 146 55 55 147 588 588 148 55 55 149 16 16 151 31 31 152 16 16 153 51 51 155 125 125 157 43 43 158 133 133 159 474 474 160 55 55 161 172 172 162 31 31 163 20 20 165 51 51 167 27 27 168 16 16 169 74 74 171 407 407 172 71 71 173 219 219 175 20 20 176 12 12 178 27 27 179 82 82 180 27 27 181 110 110 182 59 59 183 74 74 184 31 31 185 118 118 186 20 20 187 74 74 189 27 27 190 24 24 191 35 35 192 98 98 193 67 67 194 20 20 195 141 141 196 59 59 197 231 231 198 86 86 199 55 55 200 16 16 202 12 12 203 27 27 204 20 20 205 43 43 206 20 20 207 110 110 208 125 125 209 247 247 210 145 145 211 129 129 212 12 12 213 270 270 214 43 43 215 55 55 216 20 20 217 24 24 218 12 12 219 55 55 220 31 31 221 94 94 222 94 94 223 137 137 224 90 90 225 239 239 226 24 24 227 43 43 229 16 16 230 24 24 231 31 31 233 98 98 234 71 71 235 153 153 236 31 31 237 110 110 238 31 31 239 59 59 241 27 27 242 16 16 243 12 12 244 12 12 245 39 39 246 24 24 247 51 51 248 82 82 249 82 82 250 35 35 251 74 74 252 31 31 253 78 78 255 12 12 257 12 12 259 12 12 260 35 35 261 51 51 262 35 35 263 129 129 264 31 31 265 67 67 273 12 12 275 55 55 276 24 24 280 16 16 281 27 27 291 12 12 293 35 35 321 27 27 339 31 31 397 35 35 415 35 35 435 208 208 436 20 20 452 12 12 473 51 51 474 24 24 476 16 16 //