MassBank Record: WA001128



 Corticosterone; LC-ESI-Q; MS; NEG; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001128
RECORD_TITLE: Corticosterone; LC-ESI-Q; MS; NEG; 30 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$NAME: Corticosterone CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H30O4 CH$EXACT_MASS: 346.21441 CH$SMILES: OCC(=O)C(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C(O)3)C(C)(C2)C(=CC(=O)C2)C1 CH$IUPAC: InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 CH$LINK: CAS 50-22-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.200 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0119000000-26af41a4671ea7809fe8 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 106 8 8 117 8 8 119 8 8 122 8 8 125 8 8 126 12 12 131 8 8 132 12 12 142 8 8 144 12 12 146 27 27 153 8 8 154 8 8 169 8 8 171 8 8 185 8 8 194 8 8 203 8 8 213 16 16 220 8 8 221 8 8 224 8 8 227 12 12 230 8 8 236 12 12 248 8 8 252 8 8 260 12 12 262 8 8 269 12 12 274 8 8 280 8 8 291 8 8 294 8 8 295 12 12 298 12 12 304 8 8 306 8 8 309 16 16 314 12 12 322 12 12 333 8 8 336 12 12 344 12 12 347 12 12 358 12 12 361 8 8 362 8 8 370 8 8 371 8 8 372 8 8 378 8 8 381 55 55 383 16 16 391 999 999 392 188 188 393 12 12 400 8 8 401 8 8 402 12 12 413 16 16 415 12 12 421 8 8 422 8 8 429 8 8 //