MassBank Record: JP002715



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

ACCESSION: 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
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 //