ACCESSION: MSBNK-EPA-ENTACT_AGILENT001020
RECORD_TITLE: Dexamethasone phosphate; ESI-QTOF; MS2; CE: 10; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 473.1735090771
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0139800000-7978818984205351b5e7
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  43.017841 1.730758 17
  59.062028 5.646688 56
  95.049141 1.030562 10
  107.085527 2.659031 26
  137.096091 1.390102 13
  139.075356 1.483964 14
  139.111742 1.063517 10
  147.080441 4.28386 42
  149.096091 3.234298 32
  151.111742 1.624383 16
  156.989651 1.209833 12
  159.081584 1.615067 16
  161.096091 3.159984 31
  167.106656 1.140126 11
  171.080441 1.662033 16
  175.075356 1.106495 11
  177.091006 1.856267 18
  185.097234 4.263207 42
  187.075356 4.836935 48
  189.091006 2.104937 21
  203.106656 3.72177 37
  211.109372 3.780205 37
  212.119567 1.040708 10
  213.127392 1.143807 11
  215.143042 1.173619 11
  221.093722 1.463412 14
  223.109372 1.772829 17
  225.127392 1.493585 14
  227.143042 3.39044 33
  233.130107 1.128449 11
  235.111742 1.565412 15
  237.127392 11.799094 117
  239.106656 1.171138 11
  249.127392 1.178993 11
  253.158692 1.858029 18
  255.135587 1.253903 12
  263.143042 2.44888 24
  267.174342 1.278425 12
  275.140672 1.433636 14
  277.158692 2.796396 27
  279.171972 4.857878 48
  281.191135 1.465941 14
  291.171972 6.736437 67
  293.151237 2.327814 23
  295.170399 3.098184 30
  297.186049 4.77527 47
  301.157465 5.446508 54
  307.169256 4.440083 44
  309.184906 20.786364 207
  313.179821 3.486233 34
  319.169256 28.30546 282
  325.177452 7.298708 72
  327.195471 8.364059 83
  337.179821 51.793559 517
  355.190386 55.591807 555
  375.196614 1.912494 19
  417.146151 5.259757 52
  435.156716 99.999999 999
  453.167281 35.540122 355
  473.173509 37.627847 375
//