MassBank Record: JP011422



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

ACCESSION: JP011422
RECORD_TITLE: DEOXYCORTICOSTERONE ACETATE; 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$NAME: DEOXYCORTICOSTERONE ACETATE CH$NAME: 4-PREGNEN-21-OL-3,20-DIONE ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H32O4 CH$EXACT_MASS: 372.23006 CH$SMILES: CC(=O)OCC(=O)C([H])(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C3)C(C)(C2)C(=CC(=O)C2)C1 CH$IUPAC: InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1 CH$LINK: INCHIKEY VPGRYOFKCNULNK-ACXQXYJUSA-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$SPLASH: splash10-0002-1591000000-d0fe0fc04ca341c2a7af PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 43 4.1 41 55 2.12 21 67 1.44 14 69 1 10 73 1.25 13 79 1.17 12 81 4.33 43 83 1.38 14 91 1.06 11 93 2.87 29 95 6.3 63 97 2.03 20 105 2.17 22 107 5.25 53 108 1.05 11 109 4.79 48 111 1.17 12 119 2.71 27 121 6.74 67 122 1.81 18 123 6.67 67 124 5.47 55 131 2.4 24 133 5.79 58 134 10.8 108 136 1.93 19 137 3.32 33 143 1.48 15 145 5.96 60 146 1.28 13 147 22 220 148 3.02 30 149 10.62 106 150 1.44 14 157 3.01 30 159 4.37 44 161 9.95 100 162 1.87 19 163 3.7 37 171 3.25 33 173 2.89 29 175 4.21 42 177 1.22 12 185 1.31 13 187 2.05 21 189 1.85 19 197 1.79 18 201 1.33 13 211 1.26 13 213 1.47 15 215 2 20 225 1.54 15 227 3.16 32 229 6.49 65 230 1.38 14 243 2.6 26 244 2.41 24 253 30.67 307 254 6.84 68 255 1.42 14 257 1.03 10 271 49.97 500 272 11.04 110 273 1.79 18 299 99.99 999 300 21.4 214 301 3.23 32 312 10.27 103 313 2.61 26 330 1.32 13 372 4.29 43 373 1.51 15 //