MassBank Record: JP006332



 (16R)-ENT-15-OXOKAURAN-18-OIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006332
RECORD_TITLE: (16R)-ENT-15-OXOKAURAN-18-OIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: EGUCHI SFAC. OF SCIENCE, HIROSHIMA UNIV., FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (16R)-ENT-15-OXOKAURAN-18-OIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H30O3 CH$EXACT_MASS: 318.21949 CH$SMILES: OC(=O)C(C)(C4)C([H])(C3)C(C)(CC4)C([H])(C2)C(C3)(C1)C(=O)C([H])(C)C([H])(C2)1 CH$IUPAC: InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h12-15H,4-11H2,1-3H3,(H,22,23)/t12-,13+,14-,15-,18+,19+,20+/m1/s1 CH$LINK: INCHIKEY TUIVCCRIADUHNA-OPXKYWMESA-N
AC$INSTRUMENT: HITACHI RMU-7L 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: splash10-054o-9510000000-f36ea91c209d0b311d2f PK$NUM_PEAK: 104 PK$PEAK: m/z int. rel.int. 40 5.5 55 41 99.99 999 42 10.5 105 43 5.8 58 44 2 20 45 10 100 53 31.5 315 54 0.82 8 55 86.5 865 56 8.5 85 57 18 180 58 1.05 11 59 7.5 75 65 15.5 155 66 7.7 77 67 6.15 62 68 12.5 125 69 29 290 70 5.5 55 71 1.05 11 77 45.5 455 78 10.5 105 79 76.5 765 80 1.8 18 81 69 690 82 12.5 125 83 9.5 95 87 1.05 11 91 64.5 645 92 39.7 397 93 52.4 524 94 3.98 40 95 39.6 396 96 10 100 97 10.5 105 101 0.87 9 104 8.5 85 105 38.4 384 106 29.3 293 107 6.1 61 108 16.6 166 109 44.3 443 110 10.5 105 111 0.8 8 115 11.5 115 117 14 140 118 6.8 68 119 2.15 22 120 10.5 105 121 53.2 532 122 25 250 123 3.73 37 124 9.5 95 129 6 60 131 15.7 157 132 0.65 7 133 15.9 159 134 8.8 88 135 15.9 159 136 0.7 7 137 6.5 65 139 12.5 125 143 7 70 145 1.55 16 147 13 130 149 11.4 114 150 10.5 105 151 1.1 11 159 10.5 105 160 1.5 15 161 9.5 95 166 0.64 6 167 12 120 173 12.5 125 174 6.7 67 175 0.75 8 189 6.2 62 199 8.7 87 200 1.5 15 204 0.75 8 205 9 90 214 6 60 215 9 90 229 1.25 13 239 11.2 112 240 1.5 15 241 1 10 243 1 10 245 17.4 174 246 2.5 25 257 14 140 258 0.1 1 259 2 20 260 42 420 261 21.5 215 272 1.8 18 273 8 80 274 5.5 55 275 11.5 115 285 0.55 6 300 0.5 5 303 1 10 318 27.5 275 319 6.5 65 //

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