MassBank Record: JP002663



 METHYL-9,12-OCTADECADIENOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002663
RECORD_TITLE: METHYL-9,12-OCTADECADIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL-9,12-OCTADECADIENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H34O2 CH$EXACT_MASS: 294.25588 CH$SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+ CH$LINK: CAS 13038-47-6
AC$INSTRUMENT: SHIMADZU LKB-9000B 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: splash10-01qa-8920000000-1f86d7f4e3cf3a8132da PK$NUM_PEAK: 143 PK$PEAK: m/z int. rel.int. 53 1 10 54 12.6 126 55 10.4 104 57 0.1 1 59 1.7 17 65 2.7 27 66 4.5 45 67 7.33 73 68 36.9 369 69 25.7 257 70 2.1 21 71 0.28 3 74 9 90 77 11.2 112 78 3.5 35 79 3.37 34 80 27.7 277 81 99.99 999 82 62.4 624 83 2.57 26 84 5.4 54 85 6 60 86 1.8 18 87 1.05 11 88 2.8 28 89 1.4 14 91 15.1 151 92 0.43 4 93 22.4 224 94 25.5 255 95 98.4 984 96 7.38 74 97 24.7 247 98 4.1 41 99 1.4 14 105 0.51 5 106 4.6 46 107 21.3 213 108 18.9 189 109 5.96 60 110 47.5 475 111 15.2 152 112 2.4 24 113 0.19 2 115 8.6 86 116 1 10 117 3.7 37 119 0.61 6 120 7.4 74 121 25.8 258 122 23.5 235 123 3.78 38 124 32.3 323 125 8 80 127 2.2 22 129 0.73 7 131 6.1 61 132 2.1 21 133 8.6 86 134 0.4 4 135 24.6 246 136 31.9 319 137 24.7 247 138 1.74 17 139 8.2 82 140 3.8 38 141 6.4 64 143 0.32 3 144 1.1 11 147 1.8 18 148 1.7 17 149 2.15 22 150 35.5 355 151 18.7 187 152 14.2 142 153 0.66 7 154 5.4 54 155 2.8 28 157 2.5 25 158 0.27 3 159 9.7 97 160 2 20 161 3.9 39 162 0.21 2 163 16 160 164 26.9 269 165 13.9 139 166 0.75 8 167 4.4 44 168 5.3 53 169 3.2 32 170 0.3 3 173 4.5 45 174 1.3 13 175 2.1 21 177 0.86 9 178 19.6 196 179 8.3 83 180 3.7 37 181 0.49 5 182 4.6 46 183 2.3 23 187 4.7 47 191 0.76 8 192 6.1 61 193 4.8 48 194 1.8 18 195 0.4 4 196 4.3 43 201 2 20 204 3.6 36 205 0.41 4 206 3.7 37 208 1.1 11 209 3.9 39 210 0.36 4 214 3.9 39 215 1.8 18 218 1.7 17 219 0.24 2 220 11.6 116 221 3.4 34 222 1.7 17 223 0.28 3 224 3.4 34 230 3.9 39 234 4.5 45 235 0.17 2 237 2.1 21 238 2.1 21 244 2.2 22 245 0.24 2 247 1.6 16 258 2.6 26 261 1.9 19 262 2.76 28 263 34.7 347 264 7 70 265 1.9 19 280 0.34 3 286 2.2 22 294 50.7 507 295 11.9 119 //