MassBank Record: JP002755



 17ALPHA-HYDROXYPROGESTERONE 3,20-BIS(O-METHYLOXIME); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002755
RECORD_TITLE: 17ALPHA-HYDROXYPROGESTERONE 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$NAME: 17ALPHA-HYDROXYPROGESTERONE 3,20-BIS(O-METHYLOXIME) CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H36N2O3 CH$EXACT_MASS: 388.27259 CH$SMILES: CON=C(C4)C([H])=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)(C(C)=NOC)C1 CH$IUPAC: InChI=1S/C23H36N2O3/c1-15(24-27-4)23(26)13-10-20-18-7-6-16-14-17(25-28-5)8-11-21(16,2)19(18)9-12-22(20,23)3/h14,18-20,26H,6-13H2,1-5H3/b24-15+,25-17-/t18-,19+,20+,21+,22+,23+/m1/s1
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$SPLASH: splash10-0adi-3931000000-6dc28acca33c6f110277 PK$NUM_PEAK: 277 PK$PEAK: m/z int. rel.int. 50 8 80 51 16.9 169 52 12.2 122 53 4.01 40 54 18.3 183 55 57.1 571 56 10.5 105 57 0.73 7 58 5.3 53 59 4.2 42 62 2.7 27 63 0.85 9 64 2.9 29 65 20.5 205 66 14.8 148 67 4.74 47 68 5.6 56 69 12.6 126 70 10.1 101 71 0.88 9 72 7.4 74 73 11.2 112 74 2.6 26 75 0.52 5 76 3.6 36 77 64.5 645 78 41.8 418 79 7.33 73 80 20.2 202 81 37.8 378 82 12.7 127 83 0.62 6 84 5.2 52 85 6.6 66 86 6.3 63 87 0.09 1 88 2.8 28 89 9.6 96 90 3.1 31 91 9.3 93 92 25.8 258 93 56.8 568 94 23.5 235 95 2.59 26 96 8.5 85 97 16.3 163 98 4.9 49 99 0.33 3 100 4.7 47 101 3.3 33 102 6.9 69 103 1.49 15 104 18.1 181 105 59.5 595 106 31 310 107 4.4 44 108 39.1 391 109 15.5 155 110 11.4 114 111 0.79 8 112 7.7 77 113 4.4 44 114 3.3 33 115 2.17 22 116 20.3 203 117 32.4 324 118 22.9 229 119 4.18 42 120 46.9 469 121 64.8 648 122 30.2 302 123 4.08 41 124 7.5 75 125 99.99 999 126 12.4 124 127 0.72 7 128 19.9 199 129 23.2 232 130 21.6 216 131 3.12 31 132 19.8 198 133 25.3 253 134 17.9 179 135 2.74 27 136 19.4 194 137 67.7 677 138 22.1 221 139 0.77 8 140 5.8 58 141 14.7 147 142 12.9 129 143 2.03 20 144 24.7 247 145 23 230 146 24.5 245 147 1.61 16 148 11.2 112 149 19.4 194 150 8.3 83 151 4.96 50 152 23.7 237 153 45.8 458 154 13.4 134 155 1.39 14 156 13.9 139 157 20.5 205 158 19.7 197 159 1.89 19 160 16.3 163 161 7.9 79 162 6.6 66 163 0.6 6 164 10.1 101 165 13.7 137 166 9.2 92 167 0.94 9 168 7.1 71 169 12.2 122 170 16.2 162 171 1.48 15 172 15.1 151 173 7.9 79 174 12.7 127 175 0.55 6 176 6.1 61 177 5.5 55 178 8.6 86 179 0.57 6 180 5.7 57 181 6.7 67 182 5.9 59 183 1.2 12 184 12.7 127 185 9.7 97 186 11.1 111 187 0.8 8 188 6.6 66 189 5.5 55 190 6.3 63 191 0.24 2 192 4.2 42 193 7.1 71 194 6.5 65 195 0.72 7 196 9.1 91 197 4.7 47 198 9.3 93 199 0.79 8 200 4.9 49 201 4.4 44 202 5.6 56 203 0.34 3 204 6.1 61 205 4.4 44 206 5 50 207 0.59 6 208 5.3 53 209 9.7 97 210 9.8 98 211 1.12 11 212 10.1 101 213 6.1 61 214 5.4 54 215 0.37 4 216 5.5 55 217 5 50 218 7.2 72 219 0.19 2 220 5 50 221 5.6 56 222 6.8 68 223 0.63 6 224 12 120 225 9.6 96 226 14.5 145 227 1.03 10 228 5.3 53 229 4.9 49 230 4.6 46 231 0.29 3 232 2.9 29 233 3.7 37 234 2.9 29 235 0.39 4 236 4.9 49 237 3.7 37 238 7.9 79 239 0.42 4 240 10.9 109 241 5.7 57 242 8.1 81 243 0.47 5 244 3.8 38 245 3.3 33 246 3.1 31 248 0.32 3 249 5.5 55 250 6.5 65 251 5.8 58 252 0.67 7 253 5.7 57 254 5.8 58 255 8.3 83 256 0.77 8 257 4.5 45 258 6.8 68 259 5.3 53 260 0.36 4 261 3 30 263 3.3 33 264 3.3 33 265 0.6 6 266 11.4 114 267 8.4 84 268 16.2 162 269 0.54 5 270 11.4 114 271 4.7 47 272 7.1 71 273 0.48 5 274 4.4 44 275 3.3 33 277 3.1 31 278 0.29 3 279 4.6 46 280 4.1 41 281 13.7 137 282 0.97 10 283 31.9 319 284 35.5 355 285 33.7 337 286 0.39 4 287 4.7 47 290 3.3 33 291 3.3 33 292 0.45 5 293 3.4 34 294 4.1 41 295 3.1 31 297 0.39 4 298 4.6 46 299 3.4 34 300 14.2 142 301 0.31 3 307 3.9 39 308 4.2 42 309 3.3 33 310 0.28 3 311 3.6 36 313 6.5 65 314 4.6 46 315 8.75 88 316 22.3 223 317 3.4 34 323 2.8 28 324 0.31 3 325 5.6 56 326 2.9 29 327 3.4 34 328 0.29 3 329 4.5 45 337 2.8 28 339 6.7 67 340 0.25 3 341 4.5 45 354 3.3 33 355 8.8 88 356 0.7 7 357 48.5 485 358 14.2 142 359 3.6 36 370 1.53 15 371 6.4 64 386 3.9 39 387 4.5 45 388 0.89 9 389 2.7 27 //