MassBank Record: JP002662



 METHYL-9-OCTADECENOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002662
RECORD_TITLE: METHYL-9-OCTADECENOATE; 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$NAME: METHYL-9-OCTADECENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H36O2 CH$EXACT_MASS: 296.27153 CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
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$SPLASH: splash10-03ea-7930000000-17eb05bbccb341c02e68 PK$NUM_PEAK: 129 PK$PEAK: m/z int. rel.int. 53 1 10 54 7.3 73 55 16.6 166 57 0.54 5 59 5.9 59 67 27 270 68 21.2 212 69 6.03 60 70 10.7 107 71 7.7 77 74 67.1 671 75 0.14 1 79 12.2 122 80 9 90 81 47.5 475 82 3.28 33 83 80 800 84 62.5 625 85 15 150 87 6.62 66 88 1.8 18 91 5 50 93 11.2 112 94 1.14 11 95 43.6 436 96 85.9 859 97 92.7 927 98 7.88 79 105 5.4 54 106 2.8 28 107 8.9 89 108 0.91 9 109 37.3 373 110 58.7 587 111 62 620 112 2.24 22 113 10.5 105 115 9.9 99 116 3.3 33 119 1.03 10 120 5.7 57 121 16 160 122 8 80 123 4.84 48 124 37.7 377 125 37.5 375 127 5.2 52 128 1.19 12 129 10.5 105 130 3.5 35 131 1.4 14 133 1.03 10 134 11 110 135 13.8 138 136 6.5 65 137 3.57 36 138 28.8 288 139 24 240 140 3.6 36 141 2.32 23 142 4.9 49 143 13.8 138 144 3.2 32 146 4.38 44 147 5.2 52 148 9.7 97 149 11.8 118 150 0.6 6 151 25.2 252 152 28.7 287 153 18.2 182 154 0.27 3 155 7.1 71 156 2.8 28 157 6.7 67 158 2.73 27 161 5.5 55 162 5.3 53 163 5.4 54 164 0.52 5 165 16.2 162 166 23.3 233 167 12.1 121 168 0.29 3 169 10 100 170 3.7 37 171 1.8 18 172 0.1 1 173 1.1 11 175 5.7 57 177 4.1 41 178 0.29 3 179 9.8 98 180 44.4 444 181 11.1 111 183 0.63 6 185 4.5 45 187 5.8 58 188 62 620 189 1.05 11 191 4.6 46 193 7.4 74 194 9.4 94 195 0.37 4 199 6 60 200 2.9 29 204 3.2 32 207 0.63 6 208 6.9 69 209 3.1 31 213 4.4 44 214 2.62 26 215 3.2 32 220 18.4 184 221 16.4 164 222 5.18 52 223 14 140 235 10.7 107 236 7.1 71 246 0.81 8 247 4.8 48 253 2.6 26 264 99.99 999 265 59.5 595 266 11.6 116 267 3.6 36 280 3.1 31 296 1.8 18 297 4.2 42 //