ACCESSION: MSBNK-Waters-WA001128
RECORD_TITLE: Corticosterone; LC-ESI-Q; MS; NEG; 30 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 NEGATIVE
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 30 V

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

PK$SPLASH: splash10-0006-0119000000-26af41a4671ea7809fe8
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  106 8 8
  117 8 8
  119 8 8
  122 8 8
  125 8 8
  126 12 12
  131 8 8
  132 12 12
  142 8 8
  144 12 12
  146 27 27
  153 8 8
  154 8 8
  169 8 8
  171 8 8
  185 8 8
  194 8 8
  203 8 8
  213 16 16
  220 8 8
  221 8 8
  224 8 8
  227 12 12
  230 8 8
  236 12 12
  248 8 8
  252 8 8
  260 12 12
  262 8 8
  269 12 12
  274 8 8
  280 8 8
  291 8 8
  294 8 8
  295 12 12
  298 12 12
  304 8 8
  306 8 8
  309 16 16
  314 12 12
  322 12 12
  333 8 8
  336 12 12
  344 12 12
  347 12 12
  358 12 12
  361 8 8
  362 8 8
  370 8 8
  371 8 8
  372 8 8
  378 8 8
  381 55 55
  383 16 16
  391 999 999
  392 188 188
  393 12 12
  400 8 8
  401 8 8
  402 12 12
  413 16 16
  415 12 12
  421 8 8
  422 8 8
  429 8 8
//