ACCESSION: MSBNK-Waters-WA002391
RECORD_TITLE: Beclomethasone dipropionate; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Beclomethasone dipropionate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₃₇ClO₇
CH$EXACT_MASS: 520.22278
CH$SMILES: C(C(OC(=O)CC)4C(=O)COC(=O)CC)(C3([H])CC(C)4)(CC(O)C(C23[H])(C(C=1CC2)(C=CC(=O)C1)C)Cl)C
CH$IUPAC: InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
CH$LINK: CAS 5534-09-8
CH$LINK: INCHIKEY KUVIULQEHSCUHY-XYWKZLDCSA-N
CH$LINK: COMPTOX DTXSID3048730

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 19.800 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 30 V

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

PK$SPLASH: splash10-0uxr-0226290000-c6135bdaacd0ccc441a3
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  115 490 490
  116 16 16
  135 27 27
  147 35 35
  151 16 16
  171 16 16
  173 16 16
  185 35 35
  187 12 12
  209 16 16
  223 16 16
  225 59 59
  261 16 16
  263 35 35
  275 24 24
  277 39 39
  279 165 165
  280 27 27
  284 200 200
  285 27 27
  286 16 16
  289 24 24
  291 82 82
  292 16 16
  296 20 20
  297 16 16
  301 298 298
  302 63 63
  303 16 16
  305 12 12
  307 12 12
  309 20 20
  313 16 16
  315 12 12
  319 341 341
  320 74 74
  325 12 12
  327 12 12
  335 12 12
  337 274 274
  338 63 63
  339 31 31
  355 121 121
  356 24 24
  357 51 51
  358 12 12
  373 78 78
  374 12 12
  375 71 71
  376 12 12
  391 16 16
  393 321 321
  394 71 71
  411 337 337
  412 82 82
  413 12 12
  429 208 208
  430 39 39
  431 74 74
  432 12 12
  447 27 27
  449 12 12
  485 59 59
  486 16 16
  503 999 999
  504 247 247
  505 407 407
  506 90 90
  507 16 16
  521 545 545
  522 114 114
  523 219 219
  524 51 51
  559 12 12
  567 24 24
//