ACCESSION: MSBNK-EPA-ENTACT_AGILENT001019
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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$SPLASH: splash10-05n0-0794000000-4b533a3e1377688aee6a
PK$NUM_PEAK: 195
PK$PEAK: m/z int. rel.int.
  36.093352 1.576651 15
  43.017841 6.602957 65
  53.039719 1.730334 17
  55.017841 1.695664 16
  59.062028 6.507229 65
  69.033491 3.832054 38
  80.973607 1.212002 12
  81.103893 1.790201 17
  95.085527 6.946701 69
  97.064791 4.810764 48
  98.984172 24.810516 247
  99.044056 1.593623 15
  105.069877 4.892701 48
  107.085527 16.906465 168
  109.064791 12.700092 126
  109.101177 6.893362 68
  110.984172 1.569637 15
  111.080441 5.562834 55
  113.059706 1.180346 11
  115.054227 1.325359 13
  115.075356 6.395884 63
  117.069877 1.376722 13
  119.049141 3.011154 30
  119.085527 14.559365 145
  121.065934 5.302256 52
  121.101177 10.71674 107
  123.080441 6.966114 69
  125.059706 1.94145 19
  125.096091 9.695157 96
  127.075356 3.004574 30
  131.085527 8.959462 89
  131.106656 2.404891 24
  133.101177 6.159798 61
  135.080441 18.714359 186
  135.116827 5.054271 50
  136.064768 3.522435 35
  137.059706 2.955222 29
  137.096091 20.526363 205
  138.979086 1.803072 18
  139.075356 6.201027 61
  139.111742 5.525497 55
  141.069877 1.701852 17
  143.08667 6.496604 64
  145.064791 1.235966 12
  147.080441 65.943159 658
  147.11797 4.92159 49
  149.059706 1.764071 17
  149.096091 18.485304 184
  151.111742 6.127665 61
  157.065934 1.360801 13
  157.10232 5.461684 54
  159.080441 15.865365 158
  159.101571 1.278818 12
  161.059706 6.665032 66
  161.096091 43.975939 439
  161.132477 1.848572 18
  161.145364 1.035763 10
  166.054203 1.340891 13
  167.106656 6.21803 62
  169.064791 4.342013 43
  171.080441 33.766154 337
  171.116827 1.939151 19
  173.059706 1.470428 14
  173.096091 14.726123 147
  175.075356 1.240133 12
  175.111742 3.007259 30
  177.091006 11.068808 110
  183.080441 6.768869 67
  185.059706 7.178239 71
  185.096091 20.248614 202
  187.030728 2.552694 25
  187.075356 29.166337 291
  187.112884 9.803186 97
  189.092149 6.722231 67
  190.055346 1.0041 10
  191.106656 4.821429 48
  195.078072 1.883369 18
  195.114457 2.369003 23
  197.052606 1.556586 15
  197.093722 5.056656 50
  197.132477 8.331011 83
  199.111742 2.331762 23
  201.091006 1.165007 11
  201.128534 1.068901 10
  202.083575 1.014201 10
  203.119543 1.240366 12
  203.144185 1.291826 12
  205.122306 1.635591 16
  206.109002 3.329534 33
  209.096091 8.038747 80
  209.110121 2.508823 25
  209.130107 1.255626 12
  210.103916 3.810359 38
  211.111742 13.273796 132
  213.127392 15.117756 151
  215.046772 2.00232 20
  215.070271 2.101197 20
  215.106656 4.045918 40
  219.114457 1.370571 13
  221.096091 10.989986 109
  222.103916 6.118254 61
  223.111742 13.775961 137
  223.134014 1.340523 13
  224.120709 2.418233 24
  225.083906 1.162381 11
  225.125022 16.573872 165
  227.104287 8.679799 86
  227.143042 36.290764 362
  229.122306 4.044287 40
  233.132477 1.292495 12
  234.137933 2.242077 22
  235.109372 24.49174 244
  236.117197 1.551724 15
  237.127392 64.804277 647
  239.106656 7.62937 76
  239.143042 22.326188 223
  239.18057 1.151874 11
  241.122306 6.060635 60
  243.114457 1.907076 19
  245.088992 2.056805 20
  246.101547 2.612952 26
  249.125022 8.717542 87
  249.161408 1.841895 18
  251.143042 20.652546 206
  253.122306 13.483442 134
  253.158692 24.722815 246
  255.114457 1.796213 17
  255.135587 14.694799 146
  255.187228 1.08762 10
  259.112884 2.119238 21
  259.14927 1.56335 15
  260.117197 3.027094 30
  261.125022 4.40699 44
  262.132847 1.304106 13
  262.96927 1.362668 13
  263.104287 2.719417 27
  263.140672 11.044972 110
  263.1853 1.075316 10
  265.119937 4.326736 43
  265.158692 12.60226 125
  267.139099 8.821828 88
  267.171972 14.622777 146
  271.112884 2.309552 23
  272.119567 1.702415 17
  273.127392 2.117056 21
  273.161408 3.366 33
  275.140672 6.198637 61
  275.177058 1.576746 15
  276.150867 3.063546 30
  277.119937 5.430282 54
  277.156322 25.334842 253
  278.16766 2.727239 27
  279.137956 6.981751 69
  279.171972 14.03599 140
  280.146924 1.299255 12
  281.153606 3.409723 34
  281.189992 18.822992 188
  283.170399 1.570289 15
  285.148521 1.157764 11
  286.132847 4.650789 46
  286.149246 1.827545 18
  289.158692 10.572225 105
  289.192708 1.26851 12
  291.130856 1.316823 13
  291.171972 82.405167 823
  292.175067 2.362456 23
  293.151237 14.559428 145
  293.182892 1.480903 14
  294.162574 2.153007 21
  295.132871 3.778185 37
  295.169256 29.562035 295
  297.182537 12.950859 129
  301.087064 1.949745 19
  301.158692 28.968155 289
  307.166887 23.836885 238
  309.184906 62.864643 628
  311.165314 1.169926 11
  313.179821 3.856691 38
  319.145758 1.298417 12
  319.166887 99.999998 999
  321.161408 1.131831 11
  325.179821 12.300843 122
  327.195471 15.887017 158
  337.179821 87.423263 873
  343.183286 4.194619 41
  355.190386 39.487017 394
  375.135587 2.264529 22
  378.122676 1.189209 11
  395.150058 2.039927 20
  399.135587 2.258844 22
  417.146151 3.29055 32
  435.156716 39.600922 395
  453.167281 1.651989 16
  455.162944 2.789811 27
  473.173509 5.13286 51
//