ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005729
RECORD_TITLE: 21-HYDROXYPROGESTERONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 21-HYDROXYPROGESTERONE
CH$NAME: DESOXYCORTICOSTERONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₀O₃
CH$EXACT_MASS: 330.21949
CH$SMILES: OCC(=O)C(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C3)C(C)(C2)C(=CC(=O)C2)C1
CH$IUPAC: InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
CH$LINK: CAS 64-85-7
CH$LINK: INCHIKEY ZESRJSPZRDMNHY-YFWFAHHUSA-N
CH$LINK: COMPTOX DTXSID0045254

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0005-9640000000-847952a8ec3d6fcf23d6
PK$NUM_PEAK: 169
PK$PEAK: m/z int. rel.int.
  15 1.61 16
  16 1.22 12
  17 4.72 47
  18 17.45 175
  26 1.24 12
  27 8.47 85
  28 9.02 90
  29 13.69 137
  30 1.35 14
  31 22.37 224
  32 2.76 28
  39 11.98 120
  40 2.84 28
  41 32.07 321
  42 4.37 44
  43 14.15 142
  44 1.49 15
  45 2 20
  50 1.37 14
  51 3.48 35
  52 2.6 26
  53 13.99 140
  54 3.42 34
  55 37.03 370
  56 4.66 47
  57 5.36 54
  58 1.97 20
  59 1.37 14
  60 2.12 21
  61 0.87 9
  63 1.48 15
  65 8.17 82
  66 4.05 41
  67 22.97 230
  68 4.29 43
  69 8.9 89
  70 2.02 20
  71 2.82 28
  73 1.43 14
  75 1.05 11
  76 0.67 7
  77 22.14 221
  78 6.54 65
  79 31.97 320
  80 5.65 57
  81 21.24 212
  82 2.95 30
  83 4.1 41
  84 1.25 13
  85 2.3 23
  86 1.88 19
  87 1.66 17
  91 33.9 339
  92 5.98 60
  93 22.17 222
  94 5.32 53
  95 21.71 217
  96 2.89 29
  97 4.93 49
  100 1.1 11
  101 3.27 33
  102 0.75 8
  103 3.41 34
  104 2.36 24
  105 20.14 201
  106 4.4 44
  107 16.04 160
  108 3.46 35
  109 9.07 91
  110 1.43 14
  111 2.33 23
  115 5.5 55
  116 2.45 25
  117 7.8 78
  118 2.36 24
  119 10.9 109
  120 3.37 34
  121 12.83 128
  122 4.24 42
  123 13.14 131
  124 7.41 74
  125 1.58 16
  127 1.36 14
  128 3.99 40
  129 5.45 55
  130 2.2 22
  131 8.64 86
  132 2.66 27
  133 12.83 128
  134 4.68 47
  135 13.34 133
  136 2.79 28
  137 4.65 47
  141 2.2 22
  142 1.69 17
  143 4.68 47
  144 1.87 19
  145 11.18 112
  146 3.06 31
  147 29.42 294
  148 5.77 58
  149 14.37 144
  150 2.01 20
  156 0.92 9
  157 5.7 57
  158 1.8 18
  159 7.42 74
  160 2.4 24
  161 12.63 126
  162 2.25 23
  163 4.74 47
  169 1.4 14
  170 0.6 6
  171 4.29 43
  172 3.51 35
  173 5.59 56
  174 1.83 18
  175 5.92 59
  176 1.25 13
  177 1.64 16
  183 1.63 16
  184 0.65 7
  185 2.46 25
  186 1.42 14
  187 3.68 37
  188 1.62 16
  189 1.89 19
  197 2.59 26
  198 0.67 7
  199 1.37 14
  200 1.99 20
  201 2.24 22
  213 2.04 20
  214 0.77 8
  215 2.56 26
  225 1.78 18
  226 0.62 6
  227 3.81 38
  228 1.3 13
  229 7.24 72
  230 1.65 17
  231 0.82 8
  243 2.81 28
  244 1.65 17
  245 1.04 10
  253 30.91 309
  254 6.78 68
  255 1.41 14
  256 0.75 8
  269 0.85 9
  270 1.1 11
  271 45.13 451
  272 10.01 100
  273 1.42 14
  274 1.02 10
  298 0.57 6
  299 99.99 999
  300 22.44 224
  301 3.5 35
  302 0.58 6
  313 0.67 7
  314 0.5 5
  315 1.1 11
  316 0.9 9
  328 1.82 18
  329 0.82 8
  330 4.76 48
  331 1.78 18
  332 0.33 3
//