ACCESSION: MSBNK-Kazusa-KZ000056
RECORD_TITLE: Linoleic acid; GC-EI-TOF; MS; 1 TMS; BP:95
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//