MassBank Record: JP010670



 (1R(*),2R(*),3R(*),6S(*),7R(*),9R(*),10S(*),11Z,14R(*))-EUNICELLA-11-ENE-3,6,7-TRIOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP010670
RECORD_TITLE: (1R(*),2R(*),3R(*),6S(*),7R(*),9R(*),10S(*),11Z,14R(*))-EUNICELLA-11-ENE-3,6,7-TRIOL; 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$NAME: (1R(*),2R(*),3R(*),6S(*),7R(*),9R(*),10S(*),11Z,14R(*))-EUNICELLA-11-ENE-3,6,7-TRIOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H34O4 CH$EXACT_MASS: 338.24571 CH$SMILES: CC(C)C([H])(C3)C([H])(C([H])21)C([H])(C(C)=C([H])3)C([H])(CC(C)(O)C([H])(O)CCC(C)(O)2)O1 CH$IUPAC: InChI=1S/C20H34O4/c1-11(2)13-7-6-12(3)16-14-10-20(5,23)15(21)8-9-19(4,22)18(24-14)17(13)16/h6,11,13-18,21-23H,7-10H2,1-5H3/t13-,14-,15+,16+,17-,18-,19-,20+/m1/s1 CH$LINK: INCHIKEY DTXAQQMHPCOLBL-IIYNAOSSSA-N
AC$INSTRUMENT: HITACHI RMU-6L 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: splash10-0006-9810000000-ef69ee60cb543aafe142 PK$NUM_PEAK: 168 PK$PEAK: m/z int. rel.int. 41 27 270 42 2.3 23 43 99.99 999 44 0.46 5 45 9.7 97 47 4.6 46 48 1.5 15 49 0.21 2 53 6.2 62 54 1.3 13 55 25 250 56 0.28 3 57 13 130 58 9.7 97 59 4.6 46 60 0.18 2 61 1.3 13 65 3.1 31 66 1.3 13 67 0.87 9 68 2.4 24 69 17 170 70 2.7 27 71 2.5 25 72 2.8 28 73 2.6 26 74 2 20 77 1 10 78 2.3 23 79 14 140 80 4.9 49 81 1.9 19 82 4 40 83 15 150 84 17 170 85 3.7 37 86 3 30 87 3.6 36 88 0.8 8 91 1.83 18 92 18 180 93 58 580 94 13 130 95 2.4 24 96 4.7 47 97 8.5 85 98 3.9 39 99 1.3 13 100 2 20 101 22 220 102 1.8 18 103 0.18 2 104 1.4 14 105 25 250 106 7 70 107 2.8 28 108 12 120 109 13.5 135 110 3.5 35 111 0.59 6 112 1.5 15 113 2.8 28 115 2.5 25 116 0.13 1 117 3.5 35 118 1.5 15 119 10 100 120 0.38 4 121 12 120 122 14 140 123 9 90 124 0.28 3 125 6.7 67 126 4.6 46 127 27.7 277 128 2.9 29 129 5.4 54 130 1.5 15 131 6.4 64 132 0.21 2 133 8.2 82 134 4.6 46 135 11 110 136 1.65 17 137 10 100 138 2.9 29 139 2.7 27 140 0.15 2 141 7.1 71 142 1.7 17 143 2.8 28 144 0.14 1 145 5.1 51 146 3.8 38 147 11.4 114 148 0.46 5 149 15.6 156 150 13.2 132 151 4.2 42 152 0.13 1 153 7.6 76 154 1.4 14 155 3.5 35 156 0.9 9 157 3.3 33 159 4 40 160 2.1 21 161 0.47 5 162 2.6 26 163 5 50 164 2.5 25 165 0.31 3 166 4.4 44 167 5.3 53 168 0.12 1 171 3.6 36 173 2.6 26 174 1.1 11 175 0.33 3 176 2.9 29 177 6.2 62 178 9.4 94 179 1.44 14 180 2.3 23 183 3.1 31 184 1.4 14 185 0.21 2 187 1.1 11 188 1.4 14 189 3.1 31 190 0.16 2 191 2.1 21 192 2.9 29 193 3.1 31 194 0.18 2 195 9.8 98 196 1.8 18 201 2.1 21 203 0.16 2 204 2.1 21 205 2.2 22 206 1.4 14 217 0.14 1 218 3.1 31 219 3.5 35 221 2.6 26 222 0.13 1 223 3.2 32 232 4.2 42 233 1.5 15 234 0.26 3 235 7.3 73 236 2.1 21 237 7.4 74 238 0.16 2 241 1 10 244 0.8 8 259 1.8 18 260 0.06 1 262 2.6 26 263 1 10 277 2.1 21 278 0.06 1 302 3.6 36 303 1.2 12 320 5.7 57 321 0.22 2 323 0.6 6 //

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