ACCESSION: MSBNK-Waters-WA000382
RECORD_TITLE: Hydrocortisone; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0229-0933000000-e1354f912610fb8af61e
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
  101 16 16
  105 102 102
  107 110 110
  109 180 180
  111 27 27
  113 12 12
  115 8 8
  117 31 31
  119 129 129
  121 972 972
  123 180 180
  125 20 20
  129 35 35
  131 78 78
  133 82 82
  135 129 129
  137 35 35
  139 8 8
  141 24 24
  143 125 125
  145 172 172
  147 286 286
  149 24 24
  151 24 24
  153 20 20
  155 71 71
  157 149 149
  159 161 161
  161 86 86
  163 74 74
  164 8 8
  165 8 8
  167 16 16
  169 86 86
  171 110 110
  173 141 141
  175 67 67
  177 24 24
  179 16 16
  180 8 8
  181 31 31
  183 63 63
  185 90 90
  187 98 98
  189 39 39
  191 12 12
  193 27 27
  195 51 51
  197 74 74
  198 12 12
  199 47 47
  201 51 51
  203 24 24
  205 20 20
  207 35 35
  208 8 8
  209 78 78
  210 12 12
  211 47 47
  213 39 39
  215 27 27
  217 12 12
  219 12 12
  221 31 31
  223 59 59
  225 71 71
  226 8 8
  227 39 39
  228 8 8
  229 20 20
  231 20 20
  233 12 12
  234 8 8
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  237 24 24
  239 71 71
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  243 43 43
  244 8 8
  245 12 12
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  249 39 39
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  268 43 43
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  287 12 12
  291 39 39
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  298 8 8
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  310 20 20
  315 12 12
  327 94 94
  328 27 27
  345 39 39
  346 12 12
  363 999 999
  364 219 219
  365 35 35
  380 8 8
  385 63 63
  386 16 16
  401 8 8
//