ACCESSION: MSBNK-Waters-WA000577
RECORD_TITLE: Dexamethasone; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Dexamethasone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₉FO₅
CH$EXACT_MASS: 392.19990
CH$SMILES: OCC(=O)C(O)(C(C)4)C(C)(C3)C([H])(C4)C([H])(C1)C(F)(C(O)3)C(C)(C=2)C(=CC(=O)C2)C1
CH$IUPAC: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
CH$LINK: CAS 50-02-2
CH$LINK: INCHIKEY UREBDLICKHMUKA-CXSFZGCWSA-N
CH$LINK: COMPTOX DTXSID3020384

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 14.890 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$SPLASH: splash10-0596-0129000000-def679a3a0ee364ef63c
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  103 16 16
  104 16 16
  107 35 35
  109 12 12
  115 63 63
  123 12 12
  125 8 8
  128 12 12
  130 12 12
  133 12 12
  137 12 12
  139 16 16
  145 24 24
  147 43 43
  149 20 20
  151 16 16
  152 12 12
  155 12 12
  161 16 16
  162 24 24
  163 16 16
  165 8 8
  167 12 12
  171 20 20
  172 8 8
  173 16 16
  174 8 8
  177 24 24
  178 8 8
  185 39 39
  194 8 8
  195 27 27
  197 8 8
  200 8 8
  207 27 27
  211 27 27
  213 8 8
  215 12 12
  221 8 8
  223 12 12
  224 16 16
  225 20 20
  228 12 12
  233 8 8
  235 27 27
  237 110 110
  239 39 39
  241 12 12
  252 8 8
  253 27 27
  255 20 20
  263 20 20
  265 63 63
  267 24 24
  275 16 16
  277 16 16
  279 90 90
  280 12 12
  281 8 8
  283 24 24
  289 12 12
  291 86 86
  297 35 35
  301 39 39
  303 8 8
  307 55 55
  309 74 74
  310 31 31
  319 157 157
  320 8 8
  321 16 16
  325 43 43
  326 8 8
  327 35 35
  328 8 8
  337 200 200
  338 55 55
  347 8 8
  355 533 533
  356 110 110
  357 20 20
  373 866 866
  374 149 149
  375 8 8
  393 999 999
  394 133 133
  395 55 55
  410 16 16
  431 71 71
  432 16 16
  434 43 43
//