ACCESSION: MSBNK-RIKEN-PR010209
RECORD_TITLE: Oleic acid; GC-EI-TOF; MS; 1 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Oleic acid
CH$NAME: Oleate
CH$NAME: (9Z)-Octadecenoic acid
CH$NAME: (Z)-Octadec-9-enoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₈H₃₄O₂
CH$EXACT_MASS: 282.25588
CH$SMILES: CCCCCCCCC=CCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
CH$LINK: CAS 112-80-1
CH$LINK: CHEBI 16196
CH$LINK: CHEMPDB OLA
CH$LINK: KEGG C00712
CH$LINK: NIKKAJI J2.460K
CH$LINK: PUBCHEM 3978
CH$LINK: INCHIKEY ZQPPMHVWECSIRJ-KTKRTIGZSA-N
CH$LINK: COMPTOX DTXSID1025809

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$CHROMATOGRAPHY: RETENTION_INDEX 2217.4
AC$CHROMATOGRAPHY: RETENTION_TIME 555.547 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C21H42O2Si
MS$FOCUSED_ION: DERIVATIVE_MASS 354.29541
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00vi-9500000000-cdb5366d3ece43c3e166
PK$NUM_PEAK: 186
PK$PEAK: m/z int. rel.int.
  60 19 19
  61 81 81
  62 8 8
  63 9 9
  64 1 1
  65 34 34
  66 22 22
  67 302 302
  68 14 14
  69 126 126
  70 76 76
  71 37 37
  72 53 53
  73 999 999
  74 117 117
  75 771 771
  76 78 78
  77 105 105
  78 18 18
  79 121 121
  80 43 43
  81 213 213
  82 105 105
  83 157 157
  84 165 165
  85 42 42
  86 14 14
  87 8 8
  88 6 6
  89 27 27
  90 4 4
  91 42 42
  92 12 12
  93 59 59
  94 31 31
  95 137 137
  96 189 189
  97 123 123
  98 132 132
  99 31 31
  100 4 4
  101 12 12
  102 3 3
  103 6 6
  104 1 1
  105 29 29
  106 7 7
  107 31 31
  108 20 20
  109 69 69
  110 72 72
  111 52 52
  112 26 26
  113 7 7
  114 2 2
  115 7 7
  116 56 56
  117 528 528
  118 56 56
  119 45 45
  120 9 9
  121 30 30
  122 10 10
  123 48 48
  124 30 30
  125 18 18
  126 7 7
  127 4 4
  128 5 5
  129 412 412
  130 55 55
  131 87 87
  132 88 88
  133 42 42
  134 21 21
  135 19 19
  136 6 6
  137 30 30
  138 23 23
  139 9 9
  140 3 3
  141 5 5
  142 4 4
  143 28 28
  144 5 5
  145 146 146
  146 20 20
  147 16 16
  148 10 10
  149 7 7
  150 4 4
  151 18 18
  152 25 25
  153 6 6
  154 2 2
  155 18 18
  156 6 6
  157 13 13
  158 5 5
  159 12 12
  160 2 2
  161 5 5
  162 2 2
  163 3 3
  164 3 3
  165 10 10
  166 15 15
  167 6 6
  168 3 3
  169 12 12
  170 5 5
  171 19 19
  172 8 8
  173 9 9
  174 3 3
  175 3 3
  176 1 1
  177 2 2
  178 1 1
  179 4 4
  180 25 25
  181 7 7
  182 2 2
  183 14 14
  184 3 3
  185 37 37
  186 9 9
  187 7 7
  188 4 4
  189 2 2
  191 1 1
  192 1 1
  193 4 4
  194 3 3
  195 2 2
  197 3 3
  198 1 1
  199 43 43
  200 8 8
  201 10 10
  202 2 2
  203 1 1
  207 3 3
  208 2 2
  209 2 2
  211 3 3
  213 7 7
  214 2 2
  215 2 2
  220 5 5
  221 7 7
  222 27 27
  223 5 5
  225 2 2
  227 8 8
  228 2 2
  229 2 2
  235 3 3
  236 4 4
  237 1 1
  239 1 1
  241 7 7
  242 2 2
  243 2 2
  246 2 2
  255 3 3
  256 1 1
  257 4 4
  258 1 1
  264 22 22
  265 5 5
  267 1 1
  269 1 1
  271 2 2
  272 2 2
  283 1 1
  286 1 1
  295 1 1
  311 1 1
  338 6 6
  339 79 79
  340 23 23
  341 6 6
  342 1 1
  354 7 7
  355 2 2
//