MassBank Record: WA002393



 Beclomethasone dipropionate; LC-ESI-Q; MS; NEG; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002393
RECORD_TITLE: Beclomethasone dipropionate; LC-ESI-Q; MS; NEG; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 5534-09-8
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 19.800 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0090030000-fe9e9bc9d550e1e9b3a1 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 196 12 12 198 20 20 265 999 999 266 141 141 267 63 63 519 74 74 520 24 24 521 24 24 531 59 59 532 12 12 533 12 12 565 137 137 566 39 39 567 51 51 568 16 16 //