MassBank Record: JP002187



 TRANS-9,TRANS-12-OCTADECADIENOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002187
RECORD_TITLE: TRANS-9,TRANS-12-OCTADECADIENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-9,TRANS-12-OCTADECADIENOIC ACID METHYL ESTER CH$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+
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-0159-9300000000-52967c3e5e37758bb81e PK$NUM_PEAK: 97 PK$PEAK: m/z int. rel.int. 44 13.3 133 51 4.4 44 53 8.8 88 54 3.55 36 55 55.5 555 58 2.2 22 65 7.7 77 66 0.77 8 67 99.99 999 68 41.1 411 69 31.1 311 70 0.33 3 71 4.4 44 73 6.6 66 77 11.1 111 78 0.22 2 79 32.2 322 80 15.5 155 81 86.6 866 82 5.44 54 83 17.7 177 84 3.3 33 85 3.3 33 87 0.44 4 91 10 100 93 14.4 144 94 13.3 133 95 6 60 96 41.1 411 97 12.2 122 101 6.6 66 104 0.33 3 105 3.3 33 106 4.4 44 107 7.7 77 108 1.11 11 109 23.3 233 110 18.8 188 111 7.7 77 112 0.44 4 113 2.2 22 115 4.4 44 119 2.2 22 120 0.66 7 121 12.2 122 122 4.4 44 123 12.2 122 124 0.77 8 125 2.2 22 128 2.2 22 129 2.2 22 131 0.22 2 132 3.3 33 134 4.4 44 135 11.1 111 136 1.33 13 137 6.6 66 138 2.2 22 139 4.4 44 143 0.22 2 148 4.4 44 149 8.8 88 150 15.5 155 151 0.44 4 152 3.3 33 155 2.2 22 156 2.2 22 160 0.33 3 163 4.4 44 164 10 100 170 3.3 33 173 0.66 7 175 3.3 33 177 2.2 22 178 5.5 55 180 0.33 3 182 5.5 55 183 2.2 22 187 5.5 55 194 0.22 2 195 5.5 55 196 2.2 22 206 4.4 44 210 0.55 6 215 2.2 22 217 3.3 33 220 5.5 55 221 0.55 6 223 2.2 22 224 2.2 22 231 3.3 33 233 0.33 3 262 5.5 55 263 6.6 66 264 5.5 55 294 1.22 12 295 3.3 33 //