ACCESSION: MSBNK-Waters-WA001125
RECORD_TITLE: Corticosterone; 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$NAME: Corticosterone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₀O₄
CH$EXACT_MASS: 346.21441
CH$SMILES: OCC(=O)C(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C(O)3)C(C)(C2)C(=CC(=O)C2)C1
CH$IUPAC: InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
CH$LINK: CAS 50-22-6
CH$LINK: INCHIKEY OMFXVFTZEKFJBZ-HJTSIMOOSA-N
CH$LINK: COMPTOX DTXSID6022474

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 15.200 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$SPLASH: splash10-00di-0921000000-7818271a321790a1223e
PK$NUM_PEAK: 151
PK$PEAK: m/z int. rel.int.
  103 20 20
  105 200 200
  106 12 12
  107 157 157
  108 74 74
  110 337 337
  111 74 74
  113 55 55
  116 27 27
  118 90 90
  119 133 133
  121 999 999
  122 31 31
  123 517 517
  124 47 47
  126 12 12
  129 47 47
  131 133 133
  133 74 74
  135 192 192
  137 12 12
  138 51 51
  140 47 47
  141 8 8
  142 94 94
  143 110 110
  144 31 31
  145 196 196
  146 12 12
  147 180 180
  149 102 102
  150 20 20
  151 39 39
  155 67 67
  157 55 55
  159 157 157
  161 129 129
  162 106 106
  163 82 82
  164 16 16
  167 8 8
  169 86 86
  171 98 98
  172 35 35
  173 118 118
  175 12 12
  176 12 12
  177 47 47
  178 12 12
  180 24 24
  181 20 20
  183 63 63
  185 59 59
  187 74 74
  189 27 27
  190 20 20
  191 20 20
  193 35 35
  194 16 16
  196 12 12
  197 27 27
  198 43 43
  199 12 12
  201 47 47
  203 43 43
  205 8 8
  207 16 16
  208 8 8
  209 55 55
  211 141 141
  212 20 20
  213 20 20
  215 74 74
  217 39 39
  219 12 12
  221 16 16
  223 59 59
  225 20 20
  226 8 8
  227 63 63
  228 8 8
  229 51 51
  232 12 12
  233 63 63
  234 8 8
  235 59 59
  237 74 74
  239 59 59
  240 24 24
  241 39 39
  242 8 8
  249 27 27
  251 71 71
  253 98 98
  255 47 47
  257 20 20
  263 8 8
  265 27 27
  266 12 12
  268 20 20
  269 86 86
  270 8 8
  271 59 59
  272 8 8
  273 31 31
  275 24 24
  276 8 8
  280 12 12
  281 16 16
  283 59 59
  288 12 12
  290 8 8
  293 118 118
  294 16 16
  308 8 8
  311 82 82
  312 20 20
  313 8 8
  322 16 16
  323 8 8
  324 12 12
  327 12 12
  329 168 168
  330 35 35
  331 27 27
  341 12 12
  347 172 172
  348 35 35
  355 27 27
  357 8 8
  359 8 8
  369 16 16
  370 8 8
  371 16 16
  373 8 8
  378 63 63
  385 102 102
  386 20 20
  387 8 8
  388 51 51
  392 8 8
  395 8 8
  397 12 12
  405 8 8
  406 8 8
  409 8 8
  410 16 16
  415 8 8
  426 24 24
  427 12 12
  433 8 8
//