MassBank Record: WA000383



 Hydrocortisone; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000383
RECORD_TITLE: Hydrocortisone; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Hydrocortisone CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H30O5 CH$EXACT_MASS: 362.20932 CH$SMILES: OCC(=O)C(O)(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C(O)3)C(C)(C2)C(=CC(=O)C2)C1 CH$IUPAC: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16+,18+,19-,20-,21-/m0/s1 CH$LINK: CAS 50-23-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.640 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0921000000-49646974ee2d8cdff0ae PK$NUM_PEAK: 128 PK$PEAK: m/z int. rel.int. 103 8 8 105 259 259 107 153 153 109 168 168 111 27 27 115 24 24 117 82 82 119 188 188 121 999 999 123 266 266 124 12 12 125 16 16 127 8 8 128 27 27 129 82 82 131 153 153 133 129 129 135 133 133 137 27 27 139 8 8 141 47 47 142 20 20 143 172 172 145 227 227 147 219 219 149 27 27 151 16 16 153 16 16 154 12 12 155 74 74 157 121 121 159 145 145 161 71 71 163 90 90 165 20 20 167 27 27 168 8 8 169 106 106 171 114 114 172 16 16 173 94 94 175 51 51 177 20 20 179 20 20 180 27 27 181 47 47 183 86 86 185 102 102 187 71 71 188 8 8 189 35 35 190 8 8 192 8 8 193 27 27 195 51 51 197 71 71 198 8 8 199 55 55 201 47 47 202 8 8 203 12 12 205 12 12 207 39 39 208 8 8 209 67 67 210 20 20 211 51 51 213 47 47 215 27 27 216 8 8 217 8 8 219 8 8 221 27 27 223 43 43 225 63 63 226 8 8 227 31 31 228 12 12 229 12 12 231 12 12 233 12 12 234 8 8 235 20 20 237 20 20 239 55 55 241 67 67 242 20 20 243 35 35 244 8 8 245 8 8 247 8 8 249 39 39 250 16 16 251 51 51 252 8 8 253 59 59 254 16 16 255 12 12 257 8 8 263 20 20 265 12 12 266 8 8 267 71 71 268 43 43 269 59 59 270 12 12 271 8 8 273 8 8 279 16 16 281 39 39 282 12 12 285 12 12 286 8 8 291 27 27 297 39 39 299 8 8 309 59 59 310 16 16 327 67 67 328 20 20 345 24 24 346 8 8 363 552 552 364 133 133 365 16 16 385 82 82 386 16 16 401 8 8 //