ACCESSION: MSBNK-Waters-WA001162
RECORD_TITLE: Betamethasone; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Betamethasone
CH$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-/m0/s1
CH$LINK: CAS 378-44-9
CH$LINK: INCHIKEY UREBDLICKHMUKA-DVTGEIKXSA-N
CH$LINK: COMPTOX DTXSID3022667

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 14.800 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

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

PK$SPLASH: splash10-05fs-0940000000-e5203705e253d4d87b1d
PK$NUM_PEAK: 184
PK$PEAK: m/z int. rel.int.
  100 313 313
  101 51 51
  105 251 251
  107 400 400
  108 59 59
  109 200 200
  111 16 16
  114 24 24
  115 63 63
  117 51 51
  119 239 239
  121 862 862
  122 35 35
  123 94 94
  125 86 86
  128 16 16
  129 78 78
  131 168 168
  132 59 59
  133 121 121
  135 419 419
  137 110 110
  139 27 27
  141 90 90
  143 110 110
  144 27 27
  145 231 231
  147 999 999
  148 59 59
  149 114 114
  150 16 16
  151 51 51
  153 78 78
  155 63 63
  156 20 20
  157 74 74
  158 47 47
  159 364 364
  161 259 259
  162 63 63
  163 35 35
  165 71 71
  167 63 63
  168 12 12
  169 63 63
  171 470 470
  172 31 31
  173 243 243
  174 31 31
  175 67 67
  176 12 12
  177 35 35
  178 24 24
  179 55 55
  180 43 43
  181 27 27
  182 39 39
  183 43 43
  184 16 16
  185 227 227
  186 16 16
  187 86 86
  188 20 20
  189 51 51
  190 12 12
  191 24 24
  192 20 20
  193 47 47
  194 16 16
  195 118 118
  196 55 55
  197 204 204
  198 47 47
  199 98 98
  201 24 24
  203 27 27
  204 27 27
  205 16 16
  206 8 8
  207 24 24
  208 31 31
  209 161 161
  210 59 59
  211 196 196
  212 67 67
  213 98 98
  214 20 20
  215 86 86
  216 16 16
  217 20 20
  218 16 16
  219 39 39
  221 106 106
  222 125 125
  223 165 165
  224 71 71
  225 94 94
  226 8 8
  227 47 47
  229 24 24
  230 16 16
  231 12 12
  233 24 24
  234 51 51
  235 121 121
  236 35 35
  237 200 200
  238 39 39
  239 141 141
  240 16 16
  241 24 24
  242 8 8
  243 16 16
  244 16 16
  245 24 24
  247 31 31
  248 51 51
  249 110 110
  250 20 20
  251 24 24
  252 27 27
  253 94 94
  254 12 12
  255 16 16
  257 8 8
  258 8 8
  259 31 31
  261 67 67
  262 43 43
  263 196 196
  264 63 63
  265 43 43
  266 8 8
  267 31 31
  270 12 12
  272 16 16
  274 8 8
  275 20 20
  276 31 31
  277 114 114
  278 35 35
  279 345 345
  280 24 24
  281 47 47
  282 16 16
  286 8 8
  289 8 8
  290 24 24
  291 74 74
  293 20 20
  295 59 59
  297 24 24
  299 8 8
  301 27 27
  306 20 20
  307 24 24
  309 20 20
  311 20 20
  319 63 63
  325 12 12
  337 59 59
  355 157 157
  356 27 27
  373 98 98
  374 8 8
  393 204 204
  394 27 27
  395 12 12
  410 16 16
  415 82 82
  416 16 16
  425 8 8
  431 243 243
  432 31 31
  433 24 24
  434 12 12
  442 27 27
  447 20 20
  456 153 153
  457 47 47
  463 8 8
  472 8 8
  493 12 12
  505 8 8
//