ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002715
RECORD_TITLE: PROGESTERONE 3,20-BIS(O-METHYLOXIME); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PROGESTERONE 3,20-BIS(O-METHYLOXIME)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₃₆N₂O₂
CH$EXACT_MASS: 372.27768
CH$SMILES: CON=C(C4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(C(C)=NOC)C1
CH$IUPAC: InChI=1S/C23H36N2O2/c1-15(24-26-4)19-8-9-20-18-7-6-16-14-17(25-27-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h14,18-21H,6-13H2,1-5H3/b24-15+,25-17-/t18-,19+,20-,21-,22-,23+/m0/s1
CH$LINK: INCHIKEY WCBFSBXYZBTGBQ-PTUKXLOHSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-00b9-4910000000-0e3024d316d461934501
PK$NUM_PEAK: 167
PK$PEAK: m/z int. rel.int.
  51 6.7 67
  53 33.5 335
  54 18.3 183
  55 38.5 385
  56 15 150
  57 23.8 238
  59 10 100
  61 0.4 4
  65 22.3 223
  66 10.7 107
  67 16.1 161
  68 1.79 18
  69 27 270
  70 25.1 251
  71 5.3 53
  72 0.89 9
  74 6.1 61
  75 99.99 999
  76 22.8 228
  77 6.75 68
  78 18.4 184
  79 60.1 601
  80 19.7 197
  81 2.6 26
  82 13.5 135
  83 9.6 96
  84 9 90
  85 0.24 2
  87 22.5 225
  89 3.9 39
  90 7.8 78
  91 8.67 87
  92 24.9 249
  93 46.8 468
  94 25.9 259
  95 4.14 41
  98 13.4 134
  99 7.5 75
  100 38 380
  103 1.62 16
  104 5.1 51
  105 59.3 593
  106 22.8 228
  107 1.92 19
  108 24.8 248
  109 12.4 124
  110 13.1 131
  111 0.9 9
  112 13.1 131
  113 14 140
  115 23 230
  116 1.58 16
  117 35.3 353
  118 25 250
  119 19.6 196
  120 5.43 54
  121 64 640
  122 26.7 267
  123 25.8 258
  124 1.14 11
  125 23 230
  126 10.7 107
  127 10 100
  128 1.26 13
  129 36.9 369
  130 20.1 201
  131 32.9 329
  132 2.24 22
  133 15.1 151
  134 26.8 268
  135 31.9 319
  136 2.14 21
  137 31.7 317
  138 17.2 172
  139 13.8 138
  141 1.44 14
  142 16.6 166
  143 26.1 261
  144 26.8 268
  145 2.86 29
  146 20.3 203
  147 28.9 289
  148 18.3 183
  149 3.97 40
  150 3.3 33
  151 38.2 382
  152 16.5 165
  153 4.26 43
  154 13.6 136
  155 18.7 187
  156 16.4 164
  157 3.23 32
  158 18.3 183
  159 32.5 325
  160 19.8 198
  161 0.49 5
  163 0.8 8
  165 12.6 126
  166 12 120
  167 1.31 13
  168 10.5 105
  169 14 140
  170 23 230
  171 1.6 16
  172 13.7 137
  173 16.8 168
  174 13.1 131
  175 0.98 10
  176 2 20
  178 9.4 94
  179 8.4 84
  180 1.14 11
  181 7.3 73
  182 8.9 89
  183 10.6 106
  184 1.28 13
  185 9.4 94
  186 9.6 96
  187 7.6 76
  190 0.99 10
  195 8.6 86
  196 10.6 106
  203 8.5 85
  205 9.9 99
  206 3.8 38
  211 14.5 145
  217 11.7 117
  218 1.15 12
  219 5.9 59
  220 11.2 112
  221 20.5 205
  222 0.6 6
  223 4.5 45
  234 8.7 87
  235 8.3 83
  236 1.02 10
  237 13.1 131
  250 5.8 58
  251 5.5 55
  252 1.01 10
  253 10.6 106
  254 11.4 114
  263 8.5 85
  266 0.51 5
  268 2.5 25
  269 15.7 157
  273 18 180
  279 0.98 10
  280 0.8 8
  284 5.4 54
  286 9.3 93
  292 0.98 10
  295 6 60
  298 8.6 86
  299 26.5 265
  300 0.82 8
  309 13 130
  311 10.2 102
  324 10 100
  326 0.06 1
  327 5.5 55
  328 1.3 13
  339 8 80
  340 1.72 17
  343 3.4 34
  372 67.5 675
  373 16.7 167
//