ACCESSION: MSBNK-Waters-WA001126
RECORD_TITLE: Corticosterone; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0002-0937000000-999d18775edcfab64879
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  100 188 188
  101 78 78
  103 78 78
  105 145 145
  108 43 43
  109 27 27
  110 349 349
  111 55 55
  113 47 47
  114 8 8
  119 12 12
  121 208 208
  122 12 12
  123 106 106
  126 35 35
  129 20 20
  130 71 71
  133 98 98
  135 78 78
  136 31 31
  137 31 31
  139 16 16
  141 20 20
  147 51 51
  149 31 31
  153 12 12
  157 12 12
  159 27 27
  160 8 8
  162 24 24
  163 27 27
  165 12 12
  167 31 31
  171 43 43
  172 51 51
  180 39 39
  181 8 8
  183 8 8
  185 12 12
  187 39 39
  189 43 43
  191 8 8
  193 8 8
  195 27 27
  197 8 8
  199 8 8
  203 12 12
  205 12 12
  208 24 24
  211 20 20
  213 63 63
  215 27 27
  223 27 27
  225 12 12
  229 35 35
  230 8 8
  231 12 12
  236 8 8
  239 12 12
  241 35 35
  245 8 8
  247 8 8
  253 63 63
  254 8 8
  255 16 16
  264 12 12
  265 59 59
  266 12 12
  267 12 12
  269 31 31
  270 24 24
  272 20 20
  273 12 12
  275 27 27
  279 8 8
  281 16 16
  283 20 20
  288 8 8
  293 161 161
  300 8 8
  311 137 137
  312 35 35
  329 286 286
  330 51 51
  333 12 12
  345 8 8
  347 999 999
  348 125 125
  352 8 8
  378 8 8
  385 71 71
  388 168 168
  389 16 16
  390 8 8
  393 8 8
  405 8 8
  411 8 8
  429 8 8
  435 8 8
//