ACCESSION: MSBNK-Waters-WA001154
RECORD_TITLE: Budesonide; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Budesonide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₃₄O₆
CH$EXACT_MASS: 430.23554
CH$SMILES: C(C31[H])(O)CC(C4(C(=O)CO)5)(C(CC4OC(CCC)O5)(C1([H])CCC(C3(C)2)=CC(=O)C=C2)[H])C
CH$IUPAC: InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
CH$LINK: CAS 51333-22-3
CH$LINK: INCHIKEY VOVIALXJUBGFJZ-KWVAZRHASA-N
CH$LINK: COMPTOX DTXSID8020202

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 17.000 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$SPLASH: splash10-03e9-0013900000-a3242c9e653df252c986
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  135 8 8
  147 59 59
  171 24 24
  173 39 39
  199 8 8
  211 8 8
  223 12 12
  225 78 78
  226 8 8
  227 51 51
  237 8 8
  239 16 16
  241 8 8
  251 8 8
  253 8 8
  263 59 59
  264 8 8
  265 35 35
  267 16 16
  269 8 8
  272 16 16
  275 8 8
  277 31 31
  281 20 20
  283 8 8
  287 12 12
  289 24 24
  293 12 12
  295 47 47
  297 8 8
  305 67 67
  306 16 16
  307 59 59
  308 8 8
  309 8 8
  311 8 8
  313 12 12
  321 8 8
  323 239 239
  324 47 47
  325 94 94
  326 16 16
  339 16 16
  341 153 153
  342 20 20
  343 31 31
  377 20 20
  395 82 82
  396 16 16
  413 999 999
  414 239 239
  415 24 24
  431 784 784
  432 176 176
  433 27 27
  448 43 43
  449 12 12
  469 39 39
  472 35 35
  473 8 8
//