ACCESSION: MSBNK-Waters-WA002390
RECORD_TITLE: Beclomethasone dipropionate; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0gdi-0679130000-ae291383ea5e55b903ae
PK$NUM_PEAK: 172
PK$PEAK: m/z int. rel.int.
  107 43 43
  109 35 35
  111 20 20
  115 999 999
  116 35 35
  119 39 39
  121 110 110
  122 16 16
  123 27 27
  125 16 16
  131 12 12
  133 55 55
  135 266 266
  136 27 27
  137 24 24
  139 12 12
  143 16 16
  145 24 24
  147 247 247
  148 24 24
  149 12 12
  151 98 98
  153 94 94
  155 16 16
  157 35 35
  159 51 51
  161 67 67
  163 27 27
  165 24 24
  167 35 35
  169 35 35
  171 149 149
  172 12 12
  173 106 106
  174 12 12
  175 12 12
  177 31 31
  179 16 16
  183 35 35
  185 208 208
  186 12 12
  187 63 63
  189 16 16
  191 16 16
  193 16 16
  195 31 31
  197 63 63
  199 43 43
  201 16 16
  203 24 24
  205 27 27
  207 27 27
  209 71 71
  211 59 59
  213 24 24
  215 12 12
  219 27 27
  221 67 67
  223 74 74
  224 12 12
  225 67 67
  227 16 16
  229 35 35
  233 27 27
  235 59 59
  237 51 51
  239 31 31
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  243 12 12
  245 12 12
  247 31 31
  249 55 55
  250 12 12
  251 24 24
  253 16 16
  255 12 12
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  259 47 47
  261 102 102
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  293 24 24
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  376 24 24
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  524 43 43
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  567 27 27
//