ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011651
RECORD_TITLE: HYDROCORTISONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03ec-3975000000-577516644c3109b5b3bc
PK$NUM_PEAK: 273
PK$PEAK: m/z int. rel.int.
  18 3.56 36
  27 3.82 38
  28 2.47 25
  29 7.94 79
  30 5.53 55
  31 7.26 73
  32 1.78 18
  39 5.65 57
  40 1.32 13
  41 18.36 184
  42 3.46 35
  43 16.32 163
  44 1.1 11
  45 1.24 12
  51 1.73 17
  52 1.22 12
  53 8.07 81
  54 1.25 13
  55 16.06 161
  56 1.21 12
  57 4.09 41
  60 5.74 57
  65 5.19 52
  66 2.27 23
  67 12.81 128
  68 2.17 22
  69 5.84 58
  70 1.4 14
  71 2.98 30
  72 1.38 14
  73 1.03 10
  77 16.11 161
  78 4.15 42
  79 21.75 218
  80 3.91 39
  81 12.17 122
  82 2.15 22
  83 5.31 53
  84 1.43 14
  85 2.02 20
  86 1.08 11
  87 1.33 13
  91 27.76 278
  92 5.36 54
  93 17.19 172
  94 5.7 57
  95 15.38 154
  96 4.46 45
  97 13.96 140
  98 1.75 18
  99 2.87 29
  100 1.2 12
  103 3.57 36
  104 2.36 24
  105 23.91 239
  106 7.56 76
  107 17.77 178
  108 6.72 67
  109 17.8 178
  110 7.9 79
  111 5.38 54
  112 1.26 13
  113 1.35 14
  115 5.26 53
  116 2.78 28
  117 9.21 92
  118 4.69 47
  119 26.37 264
  120 10.61 106
  121 25.22 252
  122 20.45 205
  123 53.74 537
  124 37.75 378
  125 8.34 83
  126 1.77 18
  127 2.34 23
  128 4.71 47
  129 8.21 82
  130 3.9 39
  131 15.31 153
  132 5.69 57
  133 15.75 158
  134 9.4 94
  135 13.35 134
  136 13.75 138
  137 19.09 191
  138 6.54 65
  139 1.91 19
  141 3.51 35
  142 3.72 37
  143 14.2 142
  144 7.72 77
  145 21.6 216
  146 7.9 79
  147 20.04 200
  148 13.22 132
  149 12.8 128
  150 4.29 43
  151 2.74 27
  152 1.86 19
  153 1.87 19
  154 1.11 11
  155 5.03 50
  156 3.18 32
  157 10.12 101
  158 5.14 51
  159 14.02 140
  160 9.69 97
  161 21.51 215
  162 12.68 127
  163 60.79 608
  164 11.85 119
  165 3.52 35
  166 1.88 19
  167 2.29 23
  168 1.49 15
  169 5.6 56
  170 2.99 30
  171 9.87 99
  172 6.64 66
  173 16.93 169
  174 9.32 93
  175 12.67 127
  176 5.93 59
  177 3.53 35
  178 2.47 25
  179 2.54 25
  180 1.6 16
  181 3.09 31
  182 2.16 22
  183 6.22 62
  184 5.1 51
  185 12.55 126
  186 6.86 69
  187 9.89 99
  188 6.78 68
  189 23.01 230
  190 5.73 57
  191 5.68 57
  192 2.74 27
  193 2.47 25
  194 1.23 12
  195 3.98 40
  196 2.23 22
  197 6.18 62
  198 5.79 58
  199 14.24 142
  200 9.88 99
  201 7.07 71
  202 4.55 46
  203 4.89 49
  204 2.29 23
  205 3.35 34
  206 1.55 16
  207 3.05 31
  208 2.46 25
  209 10.23 102
  210 3.19 32
  211 8.77 88
  212 4.97 50
  213 17.38 174
  214 10.52 105
  215 7.5 75
  216 3.12 31
  217 3.73 37
  218 1.6 16
  219 1.25 13
  221 2.03 20
  222 2.11 21
  223 6.17 62
  224 5.04 50
  225 18.4 184
  226 8.68 87
  227 55.15 552
  228 16.23 162
  229 9.42 94
  230 3.47 35
  231 2.85 29
  232 2.1 21
  233 1.79 18
  235 2.07 21
  236 1.15 12
  237 2.94 29
  238 2.91 29
  239 6.2 62
  240 16.16 162
  241 15.88 159
  242 55.07 551
  243 19.28 193
  244 4.39 44
  245 8.88 89
  246 3.65 37
  247 2.9 29
  248 1.18 12
  249 3.66 37
  250 1.89 19
  251 7.44 74
  252 3.33 33
  253 6.14 61
  254 3.44 34
  255 4.67 47
  256 8.29 83
  257 7.25 73
  258 11.39 114
  259 6.54 65
  260 25.7 257
  261 9.83 98
  262 1.98 20
  263 2.16 22
  265 4.37 44
  266 4.53 45
  267 18.65 187
  268 7.71 77
  269 42.09 421
  270 12.8 128
  271 5.91 59
  272 2.83 28
  273 3.1 31
  274 7.08 71
  275 3.13 31
  276 1.16 12
  278 1.71 17
  279 1.97 20
  280 1.38 14
  281 5.84 58
  282 2.07 21
  283 6.36 64
  284 15.99 160
  285 43.3 433
  286 14.86 149
  287 7.13 71
  288 4.46 45
  289 1.51 15
  290 1.64 16
  291 1.52 15
  293 2.63 26
  295 6.29 63
  296 8.28 83
  297 7.72 77
  298 3.28 33
  299 16.6 166
  300 4.42 44
  301 3.11 31
  302 63.2 632
  303 31.32 313
  304 7.02 70
  305 1.13 11
  308 2.87 29
  309 1.04 10
  311 12.05 121
  312 5.21 52
  313 14.68 147
  314 32.66 327
  315 52.35 524
  316 13.87 139
  317 2.82 28
  326 7.14 71
  327 2.42 24
  328 3.49 35
  329 14.98 150
  330 9.8 98
  331 2.47 25
  332 99.99 999
  333 23.19 232
  334 5.62 56
  344 57.13 571
  345 15.17 152
  346 3.69 37
  347 1.02 10
  360 1.29 13
  362 67.67 677
  363 18.25 183
  364 2.99 30
//