MassBank Record: KZ000056



 Linoleic acid; GC-EI-TOF; MS; 1 TMS; BP:95 
Mass Spectrum
Chemical Structure
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ACCESSION: KZ000056
RECORD_TITLE: Linoleic acid; GC-EI-TOF; MS; 1 TMS; BP:95
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01586_P000023

CH$NAME: Linoleic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C18H32O2 CH$EXACT_MASS: 280.24023 CH$SMILES: CCCCCC=CCC=CCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- CH$LINK: CAS 60-33-3 CH$LINK: KEGG C01595 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 2267.9 AC$CHROMATOGRAPHY: RETENTION_TIME 1019.56 sec
MS$FOCUSED_ION: BASE_PEAK 95 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-000t-7900000000-b6ee03c4800464c37471 PK$NUM_PEAK: 159 PK$PEAK: m/z int. rel.int. 82 757 757 83 318 318 84 69 69 85 79 79 86 7 7 87 152 152 88 16 16 89 8 8 90 4 4 91 289 289 92 58 58 93 333 333 94 277 277 95 999 999 96 654 654 97 243 243 98 58 58 99 40 40 100 9 9 101 46 46 102 7 7 103 15 15 104 18 18 105 83 83 106 41 41 107 217 217 108 191 191 109 496 496 110 357 357 111 117 117 112 18 18 113 20 20 114 10 10 115 65 65 116 10 10 117 33 33 118 16 16 119 59 59 120 46 46 121 222 222 122 156 156 123 229 229 124 172 172 125 60 60 126 11 11 127 20 20 128 13 13 129 41 41 130 6 6 131 57 57 132 20 20 133 61 61 134 27 27 135 208 208 136 177 177 137 115 115 138 87 87 139 32 32 140 20 20 141 24 24 142 5 5 143 20 20 144 3 3 145 31 31 146 20 20 147 32 32 148 12 12 149 142 142 150 174 174 151 70 70 152 47 47 153 24 24 154 20 20 155 10 10 156 2 2 157 9 9 158 2 2 159 25 25 160 9 9 161 14 14 162 5 5 163 70 70 164 112 112 165 36 36 166 25 25 167 17 17 168 18 18 169 5 5 170 1 1 171 5 5 172 1 1 173 28 28 174 7 7 175 9 9 176 3 3 177 36 36 178 66 66 179 22 22 180 10 10 181 13 13 182 13 13 183 3 3 184 1 1 185 2 2 186 1 1 187 16 16 188 4 4 189 4 4 190 1 1 191 18 18 192 19 19 193 8 8 194 3 3 195 9 9 196 11 11 197 2 2 199 2 2 201 6 6 202 2 2 203 2 2 204 1 1 205 11 11 206 9 9 207 4 4 208 2 2 209 6 6 210 9 9 211 1 1 213 1 1 215 3 3 216 1 1 218 3 3 219 5 5 220 23 23 221 5 5 222 1 1 223 4 4 224 6 6 225 1 1 227 1 1 233 3 3 234 5 5 235 1 1 237 3 3 238 3 3 244 1 1 245 3 3 246 1 1 251 2 2 252 1 1 261 1 1 262 48 48 263 57 57 264 10 10 265 2 2 293 2 2 294 47 47 295 10 10 296 1 1 //

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