MassBank Record: JP010671



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

ACCESSION: JP010671
RECORD_TITLE: (1R(*),2R(*),3R(*),6S(*),7R(*),9R(*),10S(*),11Z,14R(*))-6-ACETOXYEUNICELLA-11-ENE-3,7-DIOL; 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$NAME: (1R(*),2R(*),3R(*),6S(*),7R(*),9R(*),10S(*),11Z,14R(*))-6-ACETOXYEUNICELLA-11-ENE-3,7-DIOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H36O5 CH$EXACT_MASS: 380.25627 CH$SMILES: CC(=O)OC([H])(C2)C(C)(O)CC([H])(O1)C([H])(C(C)=3)C([H])(C([H])(C(C)C)CC([H])3)C([H])(C(C)(O)C2)1 CH$IUPAC: InChI=1S/C22H36O5/c1-12(2)15-8-7-13(3)18-16-11-22(6,25)17(26-14(4)23)9-10-21(5,24)20(27-16)19(15)18/h7,12,15-20,24-25H,8-11H2,1-6H3/t15-,16-,17+,18+,19-,20-,21-,22+/m1/s1 CH$LINK: INCHIKEY QTCWWOOKJDGITI-ZHPQPJTISA-N
AC$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: splash10-0006-7910000000-6cb7eda0d980866cd14d PK$NUM_PEAK: 174 PK$PEAK: m/z int. rel.int. 41 35 350 42 4.1 41 43 99.99 999 44 0.82 8 45 12.3 123 53 8.2 82 54 1.6 16 55 3.36 34 56 4.1 41 57 15.6 156 58 13.9 139 59 0.41 4 60 3.3 33 61 2.4 24 65 4.1 41 66 0.16 2 67 11.5 115 68 3.3 33 69 22.1 221 70 0.33 3 71 40.1 401 72 3.3 33 73 1.6 16 74 0.16 2 77 12.3 123 78 3.3 33 79 20.5 205 80 0.74 7 81 24.5 245 82 4.9 49 83 19.7 197 84 0.49 5 85 20.5 205 86 3.3 33 87 3.3 33 91 2.21 22 92 27.9 279 93 80.3 803 94 22.1 221 95 3.69 37 96 5.7 57 97 11.5 115 98 4.1 41 99 1.64 16 100 3.3 33 101 9 90 105 36.9 369 106 1.48 15 107 38.5 385 108 14.8 148 109 18.9 189 110 0.74 7 111 9 90 112 2.5 25 113 5.7 57 114 0.16 2 115 3.3 33 116 1.6 16 117 4.1 41 118 0.16 2 119 16.4 164 120 4.9 49 121 19.7 197 122 1.07 11 123 13.1 131 124 4.9 49 125 8.2 82 126 0.49 5 127 37.7 377 128 30.3 303 129 5.7 57 130 0.25 3 131 11.5 115 132 3.3 33 133 13.9 139 134 0.82 8 135 16.4 164 136 24.6 246 137 13.1 131 138 0.41 4 139 4.9 49 140 3.3 33 141 4.9 49 142 0.16 2 143 4.1 41 144 3.3 33 145 9.8 98 146 2.46 25 147 21.3 213 148 11.5 115 149 18 180 150 3 30 151 5.7 57 152 1.6 16 153 4.1 41 154 0.16 2 155 5.7 57 156 1.5 15 157 8.2 82 158 0.25 3 159 5.5 55 160 3.3 33 161 8.2 82 162 0.49 5 163 8.2 82 164 4.1 41 165 5.7 57 166 0.5 5 167 7.5 75 168 1.5 15 169 1.5 15 171 0.41 4 172 1.6 16 173 3.3 33 174 1.6 16 175 0.49 5 176 6.5 65 177 27 270 178 14.8 148 179 0.98 10 180 1.6 16 183 4.9 49 184 1.6 16 185 0.24 2 186 2.4 24 187 9 90 188 2.5 25 189 0.57 6 190 3.3 33 191 3.3 33 192 3.3 33 193 0.33 3 194 5.7 57 195 11.5 115 196 1.6 16 197 0.16 2 198 1.6 16 201 4.1 41 202 1.6 16 203 0.33 3 204 26 260 205 5.7 57 206 1.6 16 213 0.25 3 214 1.6 16 215 2.5 25 218 6.6 66 219 0.33 3 220 1.6 16 221 3.3 33 222 2.4 24 223 0.16 2 225 4.1 41 226 1 10 241 3.3 33 242 0.16 2 259 4.9 49 260 1.6 16 264 17.2 172 265 0.49 5 266 1.6 16 282 12.3 123 283 3.3 33 284 0.16 2 302 9.8 98 303 4.1 41 304 3.3 33 305 0.16 2 320 1.9 19 321 1.2 12 362 1.9 19 363 0.08 1 380 1.2 12 381 0.4 4 //

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