ACCESSION: MSBNK-EPA-ENTACT_AGILENT001022
RECORD_TITLE: Dexamethasone phosphate; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Dexamethasone phosphate
CH$NAME: DTXSID3047429
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₀FO₈P
CH$EXACT_MASS: 472.1662326254
CH$SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)
CH$LINK: CAS 312-93-6
CH$LINK: INCHIKEY VQODGRNSFPNSQE-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 471.1589561737
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-5000900000-4523d8643b88ad0fe26d
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  78.959054 39.096945 390
  96.969619 18.791359 187
  138.980183 2.970097 29
  441.148391 2.665481 26
  453.148391 1.361268 13
  471.158956 99.999997 999
//