ACCESSION: MSBNK-Waters-WA001124
RECORD_TITLE: Corticosterone; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-05fr-0900000000-d8c5b8c363d963d7f204
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
  105 490 490
  106 47 47
  107 368 368
  108 94 94
  109 82 82
  114 67 67
  117 227 227
  118 121 121
  119 439 439
  120 8 8
  121 999 999
  122 31 31
  123 623 623
  124 35 35
  126 20 20
  127 27 27
  128 47 47
  129 157 157
  130 98 98
  131 294 294
  132 39 39
  133 423 423
  134 43 43
  135 192 192
  136 8 8
  138 31 31
  143 204 204
  145 309 309
  147 384 384
  149 47 47
  150 16 16
  155 47 47
  156 31 31
  157 208 208
  159 196 196
  161 172 172
  162 102 102
  163 251 251
  164 12 12
  167 82 82
  169 71 71
  171 133 133
  172 20 20
  173 118 118
  175 67 67
  177 55 55
  180 12 12
  181 59 59
  183 59 59
  184 27 27
  185 102 102
  187 133 133
  190 12 12
  192 8 8
  193 12 12
  194 16 16
  195 16 16
  197 90 90
  199 47 47
  201 55 55
  206 8 8
  209 27 27
  211 47 47
  212 8 8
  213 59 59
  214 12 12
  215 27 27
  217 8 8
  219 8 8
  222 39 39
  223 24 24
  225 8 8
  226 8 8
  229 43 43
  231 8 8
  233 39 39
  234 55 55
  235 8 8
  239 8 8
  240 8 8
  241 31 31
  244 16 16
  245 8 8
  249 16 16
  251 24 24
  252 20 20
  255 27 27
  257 12 12
  259 8 8
  262 8 8
  265 12 12
  269 31 31
  270 8 8
  271 8 8
  273 8 8
  275 16 16
  279 39 39
  281 20 20
  283 8 8
  288 24 24
  293 16 16
  295 12 12
  297 8 8
  299 8 8
  301 8 8
  311 27 27
  314 8 8
  322 20 20
  324 12 12
  325 8 8
  329 31 31
  342 16 16
  344 8 8
  347 153 153
  348 12 12
  361 8 8
  362 8 8
  369 27 27
  382 8 8
  385 298 298
  387 24 24
  388 63 63
  390 16 16
  403 8 8
  406 12 12
  410 8 8
  411 12 12
  415 12 12
  419 8 8
  427 12 12
  429 8 8
//