ACCESSION: MSBNK-Waters-WA000381
RECORD_TITLE: Hydrocortisone; 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: CC BY-NC

CH$NAME: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CH$NAME: Cortisol
CH$NAME: Hydrocortisone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₀O₅
CH$EXACT_MASS: 362.20932
CH$SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
CH$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$LINK: CAS 50-23-7 80562-38-5
CH$LINK: CHEBI 17650
CH$LINK: CHEMSPIDER 5551
CH$LINK: COMPTOX DTXSID7020714
CH$LINK: HMDB HMDB00063
CH$LINK: INCHIKEY JYGXADMDTFJGBT-VWUMJDOOSA-N
CH$LINK: KEGG C00735
CH$LINK: LIPIDMAPS LMST02030001
CH$LINK: NIKKAJI J1.908I
CH$LINK: PUBCHEM CID:5754

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 13.640 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0549000000-78816bae0bbba95e0282
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  101 16 16
  105 8 8
  107 8 8
  109 31 31
  119 27 27
  121 364 364
  123 51 51
  129 8 8
  131 16 16
  133 16 16
  135 39 39
  137 12 12
  141 8 8
  143 16 16
  145 31 31
  147 63 63
  151 8 8
  155 16 16
  157 27 27
  159 27 27
  161 20 20
  163 27 27
  169 16 16
  171 31 31
  173 27 27
  175 16 16
  177 8 8
  181 8 8
  183 16 16
  185 27 27
  187 31 31
  189 12 12
  195 8 8
  197 16 16
  199 12 12
  201 20 20
  205 8 8
  207 16 16
  209 27 27
  211 12 12
  213 16 16
  215 16 16
  217 8 8
  219 12 12
  221 12 12
  223 20 20
  225 31 31
  227 16 16
  229 8 8
  231 12 12
  237 8 8
  239 24 24
  241 31 31
  243 24 24
  244 8 8
  249 27 27
  251 35 35
  253 16 16
  261 8 8
  263 12 12
  265 12 12
  267 67 67
  268 8 8
  269 51 51
  270 12 12
  271 8 8
  279 16 16
  281 39 39
  282 8 8
  285 12 12
  287 8 8
  291 27 27
  292 8 8
  297 39 39
  298 8 8
  299 12 12
  309 94 94
  310 20 20
  315 12 12
  327 114 114
  328 24 24
  345 43 43
  346 12 12
  363 999 999
  364 223 223
  365 39 39
  385 31 31
  386 8 8
//