ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #10296 MN MID: SE203_S11_M90 |
| m/z: 279.23175, RT: 87.74, 強度: 11036, ログ強度: 0.47, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5 |
| DB検索結果: (60 names) Crepenynic acid;Lamenallenic acid;9Z,11E,14Z-octadecatrienoic acid;2E,9Z,12Z-octadecatrienoic acid;Octadeca-13E-en-11-ynoic acid;7-octadec-17-en-ynoic acid;3E,9Z,12Z-octadecatrienoic acid;2-(1,2-tetra... |
| DBごとのヒット数: ALL 58 KG 5 KN 17 HM 1 LM 35 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.043 |
DB検索結果
ppm
| 組成式 | 分子量 | 誤差(Δppm） | 候補化合物名（代表で最短名を記載） | 化合物ID |
|---|---|---|---|---|
| C18H30O2 | 278.22458 | -0.370 | Crepenynate | KEGG: C07289 KNApSAcK: C00001278 LipidMAPS: LMFA01030741, LMFA01030742 |
| C18H30O2 | 278.22458 | -0.370 | Lamenallenic acid | KNApSAcK: C00047265 LipidMAPS: LMFA01030775, LMFA01030776 |
| C18H30O2 | 278.22458 | -0.370 | 9Z,11E,14Z-octadecatrienoic acid | LipidMAPS: LMFA01030773 |
| C18H30O2 | 278.22458 | -0.370 | 2E,9Z,12Z-octadecatrienoic acid | LipidMAPS: LMFA01030339 |
| C18H30O2 | 278.22458 | -0.370 | Octadeca-13E-en-11-ynoic acid | LipidMAPS: LMFA01031148 |
| C18H30O2 | 278.22458 | -0.370 | 7-octadec-17-en-ynoic acid | LipidMAPS: LMFA01031145 |
| C18H30O2 | 278.22458 | -0.370 | 3E,9Z,12Z-octadecatrienoic acid | LipidMAPS: LMFA01030140, LMFA01031055 |
| C18H30O2 | 278.22458 | -0.370 | 2-(1,2-tetra-decadienyl)-cyclopropanecarboxylic acid | LipidMAPS: LMFA01140062 |
| C18H30O2 | 278.22458 | -0.370 | 19-Hydroxy-15,16-dinor-8(17)-labden-13-one | KNApSAcK: C00023401 |
| C18H30O2 | 278.22458 | -0.370 | octaÂdec-17-en-8-ynoic acid | LipidMAPS: LMFA01031030 |
| C18H30O2 | 278.22458 | -0.370 | Hedaol A | KNApSAcK: C00045999, C00046001 |
| C18H30O2 | 278.22458 | -0.370 | 3Z,6Z,9Z-Octadecatrienoic acid | LipidMAPS: LMFA02000319 |
| C18H30O2 | 278.22458 | -0.370 | Octadec-11-en-9-ynoic acid | HMDB: HMDB0255892 LipidMAPS: LMFA01030560, LMFA01030561 |
| C18H30O2 | 278.22458 | -0.370 | 6,10,14-octadecatrienoic acid | LipidMAPS: LMFA01030142 |
| C18H30O2 | 278.22458 | -0.370 | 10Z-octadecen-8-ynoic acid | LipidMAPS: LMFA01031039 |
| C18H30O2 | 278.22458 | -0.370 | 7E-Octadecen-9-ynoic acid | LipidMAPS: LMFA01031047, LMFA01031246 |
| C18H30O2 | 278.22458 | -0.370 | 8Z,11Z,14Z-octadecatrienoic acid | LipidMAPS: LMFA02000350 |
| C18H30O2 | 278.22458 | -0.370 | 6E,9E,11E-octadecatrienoic acid | LipidMAPS: LMFA02000347, LMFA02000348 |
| C18H30O2 | 278.22458 | -0.370 | 13Z-Hexadecen-11-ynyl acetate | LipidMAPS: LMFA07010364 |
| C18H30O2 | 278.22458 | -0.370 | (E,E)-6-Methyl-10-(tetrahydro-5,5-dimethyl-2-furanyl)-5,9-undecadien-2-one | KNApSAcK: C00022148 |
| C18H30O2 | 278.22458 | -0.370 | Octadeca-5,9,12-trienoic acid | HMDB: HMDB0256562 KNApSAcK: C00053586 LipidMAPS: LMFA01030342, LMFA01030343, LMFA01030344, LMFA01030815 |
| C18H30O2 | 278.22458 | -0.370 | 7E,9Z,12Z-octadecatrienoic acid | LipidMAPS: LMFA01030345, LMFA01030346 |
| C18H30O2 | 278.22458 | -0.370 | 16-methyl-6Z,9Z,12Z-heptadecatrienoic acid | LipidMAPS: LMFA01020209 |
| C18H30O2 | 278.22458 | -0.370 | 10,12,15-octadecatrienoic acid | LipidMAPS: LMFA01030156 |
| C18H30O2 | 278.22458 | -0.370 | 9,12,14-octadecatrienoic acid | LipidMAPS: LMFA01030151 |
| C18H30O2 | 278.22458 | -0.370 | 9Z,12Z-octadecen-15R-olide | LipidMAPS: LMFA07040144 |
| C18H30O2 | 278.22458 | -0.370 | 11Z,13E,15-Hexadecatrienyl acetate | LipidMAPS: LMFA07010370 |
| C18H30O2 | 278.22458 | -0.370 | (E,E)-6,10,14-Trimethyl-5,9-pentadecadiene-2,12-dione | KNApSAcK: C00022161 |
| C18H30O2 | 278.22458 | -0.370 | 10E,12E,14E-Hexadecatrienyl acetate | LipidMAPS: LMFA07010350, LMFA07010352 |
| C18H30O2 | 278.22458 | -0.370 | (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl propionate | LipidMAPS: LMFA07010541 |
| C18H30O2 | 278.22458 | -0.370 | 17-octadecen-9-ynoic acid | KNApSAcK: C00047138 LipidMAPS: LMFA01030562 |
| C18H30O2 | 278.22458 | -0.370 | 4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone | KNApSAcK: C00022150 |
| C18H30O2 | 278.22458 | -0.370 | Farnesylacetone epoxide | KNApSAcK: C00022164 |
| C18H30O2 | 278.22458 | -0.370 | 5Z,8Z,15Z-octadecatrienoic acid | LipidMAPS: LMFA01031363 |
| C18H30O2 | 278.22458 | -0.370 | 5beta-Estrane-3alpha,17beta-diol | KEGG: C15201 LipidMAPS: LMST02010019 |
| C18H30O2 | 278.22458 | -0.370 | 9Z,13E,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000298 |
| C18H30O2 | 278.22458 | -0.370 | Gorlic acid | KNApSAcK: C00050596 LipidMAPS: LMFA01140020 |
| C18H30O2 | 278.22458 | -0.370 | (9Z,12Z,15Z)-Octadecatrienoic acid | HMDB: HMDB0001388, HMDB0030964 KEGG: C06427 KNApSAcK: C00007247 LipidMAPS: LMFA01030152, LMFA01030153, LMFA01030348, LMFA01030349, LMFA01030350, LMFA01030351, LMFA01030352, LMFA01030353 |
| C18H30O2 | 278.22458 | -0.370 | 10,12,14-octadecatrienoic acid | LipidMAPS: LMFA01030154, LMFA01030155 |
| C18H30O2 | 278.22458 | -0.370 | Punicic acid | HMDB: HMDB0030963, HMDB0248208 KEGG: C08315, C08364 KNApSAcK: C00001216, C00001236, C00029815, C00053084 LipidMAPS: LMFA01030146, LMFA01030147, LMFA01030148, LMFA01030347, LMFA01030883, LMFA01030923 |
| C18H30O2 | 278.22458 | -0.370 | (Z,E)-6,10,14-Trimethyl-5,10-pentadecadiene-2,12-dione | KNApSAcK: C00022162 |
| C18H30O2 | 278.22458 | -0.370 | 4E,6E,10Z-Hexadecatrienyl acetate | LipidMAPS: LMFA07010353, LMFA07010360 |
| C18H30O2 | 278.22458 | -0.370 | 9Z-octadecen-6-ynoic acid | LipidMAPS: LMFA01031276 |
| C18H30O2 | 278.22458 | -0.370 | 13-(2-cyclopenten-1-yl)-9Z-Tridecenoic acid | LipidMAPS: LMFA01140042 |
| C18H30O2 | 278.22458 | -0.370 | 9Z,11E,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000299, LMFA02000344 |
| C18H30O2 | 278.22458 | -0.370 | Hedaol B | KNApSAcK: C00046000 |
| C18H30O2 | 278.22458 | -0.370 | Gamma-Linolenic acid | HMDB: HMDB0003073, HMDB0247113 KEGG: C06426 KNApSAcK: C00001226 LipidMAPS: LMFA01030141 |
| C18H30O2 | 278.22458 | -0.370 | Octadecatrienoic acid | HMDB: HMDB0255900 |
| C18H30O2 | 278.22458 | -0.370 | Octadec-2E-en-4-ynedioic acid | LipidMAPS: LMFA01031259 |
| C18H30O2 | 278.22458 | -0.370 | 7alpha-Hydroxy-14,15-dinor-8(17)-labden-13-one | KNApSAcK: C00023400 |
| C18H30O2 | 278.22458 | -0.370 | 5,8,11-octadecatrienoic acid | LipidMAPS: LMFA01030341, LMFA01031353 |
| C18H30O2 | 278.22458 | -0.370 | 4E,6E,11Z-Hexadecatrienyl acetate | LipidMAPS: LMFA07010354 |
| C18H30O2 | 278.22458 | -0.370 | Octa-dec-17-en-6-ynoic acid | LipidMAPS: LMFA01031029 |
| C18H30O2 | 278.22458 | -0.370 | [R-(E,E)]-13-Hydroxy-6,10,14-trimethyl-5,9,14-pentadecatrien-2-one | KNApSAcK: C00022152 |
| C18H30O2 | 278.22458 | -0.370 | 11E,13E,15Z-octadecatrienoic acid | LipidMAPS: LMFA01030777 |
| C18H30O2 | 278.22458 | -0.370 | 2alpha-Hydroxy-14,15-dinor-7-labden-13-one | KNApSAcK: C00023399 |
| C18H30O2 | 278.22458 | -0.370 | 13-(2-cyclopenten-1-yl)-4Z-tridecenoic acid | LipidMAPS: LMFA01140035 |
| C18H30O2 | 278.22458 | -0.370 | 16-heptadecen-12-ynoic acid | LipidMAPS: LMFA01031135 |
| C18H30O2 | 278.22458 | -0.370 | Calendic acid | HMDB: HMDB0030962, HMDB0246901, HMDB0304802 KNApSAcK: C00054959 LipidMAPS: LMFA01030143, LMFA01030144, LMFA01030145 |
| C18H30O2 | 278.22458 | -0.370 | (8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane | KNApSAcK: C00023379 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 279.23169 |
| Splash: splash10-03kc-1970000000-6cb724cbd34aace468ea |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 261.20 | 3696 | 18 | 1000 |
| 243.25 | 2630 | 36 | 711 |
| 94.94 | 1034 | 184 | 279 |
| 209.09 | 1010 | 70 | 273 |
| 137.02 | 979 | 142 | 264 |
| 123.02 | 957 | 156 | 259 |
| 223.11 | 928 | 56 | 251 |
| 195.13 | 892 | 84 | 241 |
| 151.00 | 890 | 128 | 240 |
| 173.04 | 766 | 106 | 207 |
| 177.14 | 706 | 102 | 191 |
| 165.10 | 661 | 114 | 178 |
| 109.03 | 644 | 170 | 174 |
| 179.05 | 632 | 100 | 170 |
| 181.13 | 545 | 98 | 147 |
| 187.15 | 541 | 92 | 146 |
| 191.17 | 539 | 88 | 145 |
| 163.11 | 536 | 116 | 145 |
| 80.98 | 525 | 198 | 142 |
| 148.95 | 468 | 130 | 126 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Aurone | 4-Hydroxyfurano[2'',3'':6,7]aurone |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Chalcone | Ovalitenin A |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OH) | Flavone | 3'-Hydroxy-[2'',3'':7,8]furanoflavone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Flavone | 6-Hydroxyfurano[2'',3'':7,8]flavone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Flavone | Pongaglabol |
| 0.000 | [Pterocarpene]-A(1([2,3:@@]-Furano))-B(1OH) | Pterocarpene | Neorauteen |
| Level: 3, プリカーサーm/z: 261.30835 |
| Splash: splash10-0006-0690000000-a595acd22177fda8c96b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 243.27 | 515 | 18 | 1000 |
| 149.11 | 120 | 112 | 233 |
| 163.16 | 77 | 98 | 149 |
| 135.03 | 54 | 126 | 104 |
| 233.17 | 54 | 28 | 104 |
| 173.09 | 52 | 88 | 100 |
| 161.19 | 34 | 100 | 66 |
| 159.07 | 34 | 102 | 65 |
| 147.01 | 32 | 114 | 62 |
| 215.19 | 31 | 46 | 60 |
| 145.12 | 30 | 116 | 58 |
| 104.82 | 28 | 156 | 53 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 243.18234 |
| Splash: splash10-00dj-0900000000-7a9b44a81108a320c6f7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 173.12 | 193 | 70 | 1000 |
| 187.18 | 99 | 56 | 511 |
| 160.94 | 82 | 82 | 422 |
| 145.02 | 79 | 98 | 408 |
| 130.99 | 78 | 112 | 400 |
| 159.08 | 64 | 84 | 331 |
| 147.06 | 63 | 96 | 325 |
| 201.09 | 63 | 42 | 324 |
| 121.02 | 35 | 122 | 178 |
| 148.70 | 25 | 94 | 130 |
| 215.18 | 24 | 28 | 126 |
| 175.24 | 15 | 68 | 77 |
| 117.01 | 14 | 126 | 74 |
| 109.01 | 14 | 134 | 74 |
| 133.17 | 14 | 110 | 73 |
| 186.27 | 14 | 57 | 72 |
| 92.98 | 11 | 150 | 58 |
| 80.88 | 10 | 162 | 53 |
| 104.98 | 10 | 138 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavan]-A(1OH)-B(1OH) | Isoflavan | Equol |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(none) | Dihydrochalcone | 2',4'-Dihydroxydihydrochalcone |
| 0.000 | [Flavan]-A(1OH)-B(1OH) | Flavan | 7,4'-Dihydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(none) | Flavan | 5,7-Dihydroxyflavan |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(2OH) | 2-Phenylbenzofuran | 6,2',4'-Trihydroxy-2-phenylbenzofuran |