MassBank Record: WA002946



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

ACCESSION: WA002946
RECORD_TITLE: Hydrocortisone; LC-ESI-Q; MS; NEG; 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 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-003s-0987200000-c7d96a0e4d0de90239da PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 107 55 55 109 43 43 113 20 20 121 8 8 123 55 55 125 999 999 126 74 74 127 12 12 135 39 39 137 165 165 138 24 24 139 8 8 145 8 8 155 8 8 159 8 8 161 24 24 163 8 8 165 8 8 173 8 8 174 12 12 175 8 8 189 325 325 190 47 47 191 12 12 195 8 8 199 8 8 217 8 8 227 8 8 257 8 8 265 8 8 269 12 12 271 8 8 279 24 24 282 639 639 283 137 137 284 12 12 287 16 16 297 764 764 298 165 165 299 24 24 301 31 31 302 8 8 313 51 51 315 141 141 316 31 31 317 8 8 325 12 12 329 20 20 331 921 921 332 200 200 333 24 24 343 74 74 344 20 20 361 16 16 397 8 8 407 255 255 408 51 51 409 12 12 459 137 137 460 31 31 475 12 12 //