MassBank Record: JP002188



 CIS-9,CIS-12-OCTADECADIENOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002188
RECORD_TITLE: CIS-9,CIS-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$NAME: CIS-9,CIS-12-OCTADECADIENOIC ACID METHYL ESTER CH$NAME: LINOLEIC 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: splash10-014j-9300000000-729382f4e6ed1136cb48 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 51 2.2 22 53 8.1 81 54 35.9 359 55 5.25 53 59 6.2 62 65 6.2 62 66 6.6 66 67 99.99 999 68 41.1 411 69 27.7 277 70 2.2 22 71 0.18 2 73 1.8 18 74 7.4 74 77 9.2 92 78 0.4 4 79 30 300 80 20.3 203 81 20.3 203 82 4.55 46 83 19.2 192 84 2.5 25 85 3.7 37 87 0.55 6 91 7.7 77 92 2.2 22 93 12.5 125 94 1.55 16 95 48.1 481 96 39.2 392 97 13.3 133 98 0.25 3 99 2.2 22 105 2.9 29 106 1.8 18 107 0.85 9 108 9.2 92 109 26.2 262 110 18.8 188 111 0.55 6 115 2.5 25 119 2.9 29 121 11.4 114 122 0.7 7 123 11.4 114 124 10 100 125 2.5 25 129 0.25 3 131 1.8 18 132 1.8 18 133 2.9 29 135 0.92 9 136 11.1 111 137 6.6 66 138 5.9 59 139 0.18 2 141 2.2 22 146 1.8 18 148 1.8 18 149 0.85 9 150 9.6 96 151 4.4 44 152 2.9 29 154 0.25 3 161 1.8 18 163 3.3 33 164 7.7 77 165 0.18 2 171 1.8 18 173 2.9 29 177 1.8 18 178 0.48 5 182 2.2 22 196 2.2 22 206 1.8 18 210 0.18 2 221 1.8 18 224 1.8 18 262 6.2 62 263 0.66 7 264 2.2 22 294 9.2 92 295 2.5 25 //