ACCESSION: MSBNK-Waters-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: 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 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
//