ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #10175 MN MID: SE203_S11_M90 |
| m/z: 293.21107, RT: 84.08, 強度: 9314, ログ強度: 0.40, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (40 names) 6-Methylgingediol;9,10-epoxy-13-oxo-11-octadecenoic acid;16-hydroperoxy-9Z,12,14E-octadecatrienoic acid;7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid;10-[(1S,3R,4R,6S,7S)-3-ethyl-6-hydroxy-2-oxabic... |
| DBごとのヒット数: ALL 34 KG 7 KN 6 HM 4 LM 17 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
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 |
|---|---|---|---|---|
| C18H30O4 | 310.21441 | -0.166 | 6-Methylgingediol | HMDB: HMDB0303099 |
| C18H30O4 | 310.21441 | -0.166 | 7-(5S-hydroxy-2-oxo-2-pentylcyclohex-1-en-yl)heptanoic acid | LipidMAPS: LMFA02000410, LMFA02000411 |
| C18H30O4 | 310.21441 | -0.166 | 9,10-epoxy-13-oxo-11-octadecenoic acid | LipidMAPS: LMFA02000279 |
| C18H30O4 | 310.21441 | -0.166 | 16-hydroperoxy-9Z,12,14E-octadecatrienoic acid | LipidMAPS: LMFA02000111 |
| C18H30O4 | 310.21441 | -0.166 | (9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid | KEGG: C07357 LipidMAPS: LMFA02000226 |
| C18H30O4 | 310.21441 | -0.166 | 10-[(1S,3R,4R,6S,7S)-3-ethyl-6-hydroxy-2-oxabicyclo[2.2.1]hept-7-yl]dec-9Z-enoic acid | LipidMAPS: LMFA02000387 |
| C18H30O4 | 310.21441 | -0.166 | 10-[(1R,2S,3S,5S)-3-(1-hydroxypropyl)-6-oxabicyclo[3.1.0]hex-2-yl]dec-9Z-enoic acid | LipidMAPS: LMFA02000386 |
| C18H30O4 | 310.21441 | -0.166 | 9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid | LipidMAPS: LMFA02000019 |
| C18H30O4 | 310.21441 | -0.166 | Gallicynoic acid D | KNApSAcK: C00039249 LipidMAPS: LMFA01050578 |
| C18H30O4 | 310.21441 | -0.166 | Porrigenic acid | KNApSAcK: C00031076 LipidMAPS: LMFA01060225 |
| C18H30O4 | 310.21441 | -0.166 | 11-oxo-(12,13)-epoxy-(9Z)-octadecenoic acid | LipidMAPS: LMFA02000404 |
| C18H30O4 | 310.21441 | -0.166 | 2-(2Z-octentyl)-4Z-decene-1,10-dioic acid | LipidMAPS: LMFA01170144 |
| C18H30O4 | 310.21441 | -0.166 | 9(S)-HPOT | KEGG: C16321, C19936 LipidMAPS: LMFA02000018, LMFA02000108 |
| C18H30O4 | 310.21441 | -0.166 | 18-hydroxy-5-oxo-octadeca-6E,8Z-dienoic acid | LipidMAPS: LMFA02000396 |
| C18H30O4 | 310.21441 | -0.166 | 13(S)-HPOT | HMDB: HMDB0301803 KEGG: C04785 KNApSAcK: C00000364, C00000389 LipidMAPS: LMFA02000052, LMFA02000110 |
| C18H30O4 | 310.21441 | -0.166 | Hygrophorone C12 | KNApSAcK: C00050792, C00050793 |
| C18H30O4 | 310.21441 | -0.166 | 12,17 | LipidMAPS: LMFA03000023 |
| C18H30O4 | 310.21441 | -0.166 | 9-Hydroxy-12-oxo-10(E),15(Z)-octadecadienoic acid | KEGG: C21923 |
| C18H30O4 | 310.21441 | -0.166 | Dihydroalbocycline | KEGG: C15753 KNApSAcK: C00016029 |
| C18H30O4 | 310.21441 | -0.166 | (9Z,11E,14Z)-(13S)-hydroperoxyoctadeca-(9,11,14)-trienoate | HMDB: [-1]HMDB0303985 LipidMAPS: LMFA02000114 |
| C18H30O4 | 310.21441 | -0.166 | 2-(2Z,5Z-octadienyl)-decane-1,10-dioic acid | LipidMAPS: LMFA01170142 |
| C18H30O4 | 310.21441 | -0.166 | (8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate | KEGG: C20704 |
| C18H30O4 | 310.21441 | -0.166 | 13S-hydroperoxy-6Z,9Z,11E-octadecatrienoic acid | LipidMAPS: LMFA02000112 |
| C18H30O4 | 310.21441 | -0.166 | Auxin b | HMDB: HMDB0038484 |
| C18H30O4 | 310.21441 | -0.166 | 6,9-Octadecadienedioic acid | KNApSAcK: C00007431 |
| C18H30O4 | 310.21441 | -0.166 | 8-((1R,2S)-2-((S,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid | LipidMAPS: LMFA02030027, LMFA02030028 |
| C18H30O4 | 310.21441 | -0.166 | 9-hydroxy-10-oxo-12(Z),15(Z)-octadecadienoic acid | LipidMAPS: LMFA02000393 |
| C18H30O4 | 310.21441 | -0.166 | 12-oxo-9R-hydroxy-10E-octadecen-13R-olide | LipidMAPS: LMFA07040156 |
| C18H30O4 | 310.21441 | -0.166 | 2-(2Z-pentyl)-4Z-tridecene-1,13-dioic acid | LipidMAPS: LMFA01170143 |
| C18H30O4 | 310.21441 | -0.166 | 8-(2-butyl-6R-hydroxy-3-oxocyclohex-1-en-yl)octanoic acid | LipidMAPS: LMFA02000408, LMFA02000409 |
| C18H30O4 | 310.21441 | -0.166 | Sterebin A | HMDB: HMDB0035337 KNApSAcK: C00023382 |
| C18H30O4 | 310.21441 | -0.166 | 12(13)Ep-9-KODE | HMDB: HMDB0013623, HMDB0246689 LipidMAPS: LMFA02000247 |
| C18H30O4 | 310.21441 | -0.166 | (11R,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid | HMDB: HMDB0033505, HMDB0302824, HMDB0302825 |
| C18H30O4 | 310.21441 | -0.166 | 13R-hydroxy-8-oxo-octadeca-9E,11E-dienoic acid | LipidMAPS: LMFA02000390 |
| C18H30O4 | 310.21441 | -0.166 | 15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid | LipidMAPS: LMFA02000030 |
| C18H30O4 | 310.21441 | -0.166 | 2(R)-HPOT | KEGG: C16341 |
| C18H30O4 | 310.21441 | -0.166 | 12-hydroperoxy-9Z,13E,15-octadecatrienoic acid | LipidMAPS: LMFA02000109 |
| C18H30O4 | 310.21441 | -0.166 | 12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid | KNApSAcK: C00000390 LipidMAPS: LMFA02000020 |
| C18H30O4 | 310.21441 | -0.166 | Octadeca-2,4-dienedioic acid | HMDB: HMDB0242188 |
| C18H30O4 | 310.21441 | -0.166 | 11-oxo-9,10-epoxy-(12Z)-octadecenoate | LipidMAPS: LMFA02000406 |
| C18H30O4 | 310.21441 | -0.166 | 11R,12R-epoxy-8-oxo-9E-octadecenoic acid | LipidMAPS: LMFA02000389 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 293.21097 |
| Splash: splash10-016u-1950000000-728001909d44136b9f94 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 165.03 | 6510 | 128 | 1000 |
| 275.28 | 3801 | 18 | 583 |
| 293.28 | 3229 | -0 | 496 |
| 106.88 | 1342 | 186 | 206 |
| 105.01 | 1076 | 188 | 165 |
| 237.16 | 858 | 56 | 131 |
| 150.97 | 742 | 142 | 114 |
| 120.91 | 742 | 172 | 113 |
| 108.94 | 697 | 184 | 107 |
| 94.92 | 683 | 198 | 104 |
| 223.17 | 622 | 70 | 95 |
| 90.93 | 592 | 202 | 90 |
| 147.06 | 494 | 146 | 75 |
| 133.06 | 492 | 160 | 75 |
| 134.98 | 434 | 158 | 66 |
| 177.11 | 430 | 116 | 66 |
| 119.03 | 429 | 174 | 65 |
| 159.02 | 425 | 134 | 65 |
| 96.87 | 380 | 196 | 58 |
| 144.98 | 361 | 148 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Aurone | 4-Methoxyfurano[2'',3'':6,7]aurone |
| 0.000 | [2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | 2-(alpha-oxobenzyl)benzofuran | Derriobtusone A |
| 0.000 | [alpha-substituted Chalcone (alpha-Methyl)]-A(1OMe, 1Methyl, 1([2,3:@@]-Furano))-B(none) | alpha-substituted Chalcone | Purpuritenin B |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1Methyl) | Chalcone | Purpuritenin A |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | 2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | Pongone |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | Cauliflorin A |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | Glabone |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | 2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavone | Kanjone |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavone | 9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavone | Pinnatin |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Flavonol | Karanjin |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Flavonol | Ponganone XI |
| Level: 3, プリカーサーm/z: 165.03317 |
| Splash: splash10-0a4l-9700000000-007a6ad9e289f1bba0e7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 94.87 | 450 | 70 | 1000 |
| 108.91 | 359 | 56 | 796 |
| 105.02 | 204 | 60 | 453 |
| 81.07 | 144 | 84 | 320 |
| 165.14 | 91 | -0 | 202 |
| 84.84 | 77 | 80 | 170 |
| 119.05 | 76 | 46 | 169 |
| 56.87 | 65 | 108 | 143 |
| 92.98 | 64 | 72 | 142 |
| 97.02 | 48 | 68 | 106 |
| 78.73 | 37 | 86 | 82 |
| 90.94 | 35 | 74 | 77 |
| 106.85 | 24 | 58 | 52 |
FlavonoidSearch結果
ヒットなし