ACCESSION: MSBNK-RIKEN-PR010203
RECORD_TITLE: gamma-Linolenic acid; GC-EI-TOF; MS; 1 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2012.10.22)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: gamma-Linolenic acid
CH$NAME: (6Z,9Z,12Z)-Octadecatrienoic acid
CH$NAME: 6,9,12-Octadecatrienoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₈H₃₀O₂
CH$EXACT_MASS: 278.22458
CH$SMILES: CCCCCC=CCC=CCC=CCCCCC(O)=O
CH$IUPAC: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
CH$LINK: CAS 506-26-3
CH$LINK: CHEBI 28661
CH$LINK: KEGG C06426
CH$LINK: NIKKAJI J12.229G
CH$LINK: PUBCHEM 8661
CH$LINK: INCHIKEY VZCCETWTMQHEPK-QNEBEIHSSA-N
CH$LINK: COMPTOX DTXSID7046170

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$CHROMATOGRAPHY: RETENTION_INDEX 2190.6
AC$CHROMATOGRAPHY: RETENTION_TIME 551.326 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C21H38O2Si
MS$FOCUSED_ION: DERIVATIVE_MASS 350.26411
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00b9-9300000000-254ecb989081fdc719d2
PK$NUM_PEAK: 195
PK$PEAK: m/z int. rel.int.
  60 22 22
  61 89 89
  62 15 15
  63 26 26
  64 6 6
  65 132 132
  66 118 118
  67 684 684
  68 13 13
  69 66 66
  70 19 19
  71 29 29
  72 59 59
  73 999 999
  74 114 114
  75 786 786
  76 81 81
  77 344 344
  78 164 164
  79 735 735
  80 419 419
  81 370 370
  82 71 71
  83 60 60
  84 70 70
  85 40 40
  86 14 14
  87 8 8
  88 10 10
  89 26 26
  90 6 6
  91 404 404
  92 103 103
  93 321 321
  94 184 184
  95 221 221
  96 60 60
  97 38 38
  98 18 18
  99 15 15
  100 3 3
  101 15 15
  102 6 6
  103 25 25
  104 18 18
  105 163 163
  106 80 80
  107 150 150
  108 69 69
  109 55 55
  110 19 19
  111 12 12
  112 4 4
  113 4 4
  114 2 2
  115 24 24
  116 67 67
  117 186 186
  118 37 37
  119 98 98
  120 128 128
  121 124 124
  122 45 45
  123 34 34
  124 10 10
  125 6 6
  126 2 2
  127 5 5
  128 10 10
  129 215 215
  130 38 38
  131 79 79
  132 28 28
  133 78 78
  134 43 43
  135 68 68
  136 42 42
  137 26 26
  138 5 5
  139 4 4
  140 1 1
  141 5 5
  142 7 7
  143 24 24
  144 13 13
  145 88 88
  146 14 14
  147 51 51
  148 20 20
  149 49 49
  150 65 65
  151 15 15
  152 3 3
  153 4 4
  154 2 2
  155 18 18
  156 5 5
  157 26 26
  158 6 6
  159 26 26
  160 6 6
  161 35 35
  162 37 37
  163 35 35
  164 19 19
  165 6 6
  166 1 1
  167 3 3
  168 2 2
  169 11 11
  170 4 4
  171 21 21
  172 5 5
  173 16 16
  174 4 4
  175 29 29
  176 17 17
  177 24 24
  178 8 8
  179 2 2
  180 1 1
  181 3 3
  182 1 1
  183 8 8
  184 2 2
  185 22 22
  186 4 4
  187 8 8
  188 3 3
  189 13 13
  190 5 5
  191 7 7
  192 3 3
  193 1 1
  195 2 2
  197 4 4
  198 1 1
  199 5 5
  200 1 1
  201 4 4
  202 1 1
  203 6 6
  204 4 4
  205 2 2
  206 2 2
  207 1 1
  209 1 1
  211 4 4
  212 2 2
  213 3 3
  214 1 1
  215 2 2
  216 2 2
  217 3 3
  218 9 9
  219 3 3
  221 1 1
  223 3 3
  224 1 1
  225 1 1
  226 1 1
  227 1 1
  231 1 1
  232 2 2
  233 1 1
  235 3 3
  236 1 1
  237 3 3
  238 1 1
  239 2 2
  241 1 1
  242 1 1
  243 7 7
  244 1 1
  249 7 7
  250 1 1
  251 2 2
  252 8 8
  253 4 4
  254 1 1
  260 6 6
  261 1 1
  263 2 2
  265 4 4
  266 1 1
  277 1 1
  279 2 2
  280 1 1
  293 2 2
  307 1 1
  334 1 1
  335 10 10
  336 2 2
  350 6 6
  351 2 2
//