MassBank Record: JP002189



 CIS-9,CIS-12,CIS-15-OCTADECATRIENOIC ACIDMETHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002189
RECORD_TITLE: CIS-9,CIS-12,CIS-15-OCTADECATRIENOIC ACIDMETHYL 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$NAME: CIS-9,CIS-12,CIS-15-OCTADECATRIENOIC ACIDMETHYL ESTER CH$NAME: LINOLENIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H32O2 CH$EXACT_MASS: 292.24023 CH$SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
AC$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: splash10-0a6u-9400000000-66aefd28ec364557f7aa PK$NUM_PEAK: 130 PK$PEAK: m/z int. rel.int. 50 0.6 6 51 1.8 18 52 1.2 12 53 0.94 9 54 9.4 94 55 38.9 389 57 5.6 56 62 0.12 1 64 0.6 6 65 5 50 66 8.1 81 67 6.66 67 68 12.5 125 69 15.7 157 71 0.6 6 77 1.76 18 78 14.4 144 79 99.99 999 80 48.4 484 81 4.33 43 82 14.4 144 83 7.5 75 84 1.2 12 85 0.12 1 87 11.9 119 91 25.1 251 92 5.6 56 93 4.9 49 94 27.6 276 95 50.3 503 96 9.4 94 97 0.69 7 98 0.6 6 99 3.1 31 100 2.5 25 101 0.5 5 102 3.1 31 103 3.7 37 105 8.8 88 106 0.25 3 107 24.5 245 108 37.7 377 109 13.2 132 110 0.18 2 111 3.1 31 114 0.6 6 115 1.8 18 116 0.31 3 117 3.7 37 118 2.5 25 119 5 50 120 0.25 3 121 20.7 207 122 13.2 132 123 4.4 44 124 0.06 1 125 0.6 6 128 0.6 6 129 3.1 31 131 0.37 4 132 3.7 37 133 4.4 44 134 1.2 12 135 1.5 15 136 10.6 106 137 3.1 31 139 0.6 6 141 0.25 3 144 3.1 31 145 1.2 12 146 2.5 25 147 0.31 3 149 11.9 119 150 5 50 157 1.2 12 158 0.18 2 159 0.6 6 160 1.2 12 161 0.6 6 162 0.12 1 163 4.4 44 164 5.6 56 165 0.6 6 169 0.06 1 171 0.6 6 172 0.6 6 173 2.5 25 174 0.25 3 175 0.6 6 176 2.5 25 178 0.6 6 179 0.06 1 180 2.5 25 184 3.1 31 191 0.6 6 192 0.12 1 196 1.8 18 197 0.6 6 199 1.8 18 201 0.12 1 203 0.6 6 204 2.5 25 210 0.6 6 215 0.25 3 216 0.6 6 218 1.2 12 220 1.2 12 222 0.18 2 223 2.5 25 224 1.2 12 225 1.2 12 232 0.25 3 235 2.5 25 236 4.4 44 237 1.2 12 238 0.12 1 249 1.2 12 250 1.2 12 251 0.6 6 253 0.12 1 259 0.6 6 261 0.6 6 262 3.1 31 263 0.25 3 264 0.6 6 267 1.2 12 278 0.6 6 290 0.06 1 292 5 50 293 0.6 6 //