MassBank Record: JP009696



 DEOXYCORTICOSTERONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009696
RECORD_TITLE: DEOXYCORTICOSTERONE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: DEOXYCORTICOSTERONE CH$NAME: 21-HYDROXYPREGN-4-ENE-3,20-DIONE 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: INCHIKEY ZESRJSPZRDMNHY-YFWFAHHUSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006t-0491000000-147f3880bd096269f1e5 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 55 1.18 12 81 3.27 33 93 2.01 20 95 4.97 50 97 1.43 14 105 2.01 20 107 4.2 42 109 3.28 33 119 1.75 18 121 5.53 55 122 1.82 18 123 5.91 59 124 1.76 18 131 1.56 16 133 4.45 45 135 8.52 85 136 1.11 11 137 2.85 29 143 1.13 11 145 4.91 49 147 1.84 18 148 2.59 26 149 9.05 91 150 1.02 10 157 2.49 25 159 3.67 37 161 8.69 87 162 1.44 14 163 3.08 31 171 2.23 22 173 2.19 22 175 3.98 40 177 1.02 10 187 1.58 16 189 1.17 12 197 1.67 17 201 1.19 12 213 1 10 215 1.86 19 225 1.23 12 227 2.44 24 229 5.18 52 230 1.13 11 243 2.05 21 244 1.29 13 253 27.91 279 254 5.94 59 271 46.07 461 272 10.27 103 273 1.15 12 299 99.99 999 300 21.4 214 301 3.97 40 315 1.34 13 330 2.16 22 //