ピーク情報
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トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #10135 MN MID: SE203_S11_M90 |
| m/z: 433.25824, RT: 82.66, 強度: 55563, ログ強度: 1.18, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (28 names) Vibsanin G;(+)-Vibsanin G;Boletinin J;Wortmannilactone B;(-)-Wortmannilactone B;Vibsanol B;(+)-Vibsanol B;L 669262;Colupdox a;Erinacine A;14R*,15-Epoxyvibsanin C;(+)-(14R,15)-Epoxyvibsanin;Hydrocortis... |
| DBごとのヒット数: ALL 21 KN 14 HM 6 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.053 |
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 |
|---|---|---|---|---|
| C25H36O6 | 432.25119 | -0.522 | Vibsanin G | KNApSAcK: C00043213, C00043997 |
| C25H36O6 | 432.25119 | -0.522 | Boletinin J | KNApSAcK: C00054222 |
| C25H36O6 | 432.25119 | -0.522 | Wortmannilactone B | KNApSAcK: C00040663 |
| C25H36O6 | 432.25119 | -0.522 | Vibsanol B | KNApSAcK: C00045436 |
| C25H36O6 | 432.25119 | -0.522 | L 669262 | KNApSAcK: C00017080 |
| C25H36O6 | 432.25119 | -0.522 | Colupdox a | HMDB: HMDB0039597 |
| C25H36O6 | 432.25119 | -0.522 | Erinacine A | HMDB: HMDB0040291 |
| C25H36O6 | 432.25119 | -0.522 | Hydrocortisone 17-butyrate | HMDB: HMDB0253243 |
| C25H36O6 | 432.25119 | -0.522 | 14R*,15-Epoxyvibsanin C | KNApSAcK: C00032604 |
| C25H36O6 | 432.25119 | -0.522 | Vibsanol A | KNApSAcK: C00045435 |
| C25H36O6 | 432.25119 | -0.522 | 3-Hydroxyvibsanin E | KNApSAcK: C00036551 |
| C25H36O6 | 432.25119 | -0.522 | Wortmannilactone D | KNApSAcK: C00040665 |
| C25H36O6 | 432.25119 | -0.522 | 14-Acetyl-3,19-isopropylideneandrographolide | KNApSAcK: C00034369 |
| C25H36O6 | 432.25119 | -0.522 | Rastevione | KNApSAcK: C00021326, C00021327 |
| C25H36O6 | 432.25119 | -0.522 | Erinacine B | HMDB: HMDB0040390 |
| C25H36O6 | 432.25119 | -0.522 | Vibsanin L | KNApSAcK: C00033483 |
| C25H36O6 | 432.25119 | -0.522 | Espinosanolide 2-methylbutyrate | KNApSAcK: C00022398 |
| C25H36O6 | 432.25119 | -0.522 | 3-Angeloyloxy-2,18-dihydroxy-8(17),13-labdadien-15,16-olide | KNApSAcK: C00023361 |
| C25H36O6 | 432.25119 | -0.522 | 16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide | HMDB: HMDB0255934 |
| C25H36O6 | 432.25119 | -0.522 | Erinacine E | HMDB: HMDB0029656 |
| C25H36O6 | 432.25119 | -0.522 | 2R-(2R-(17-methyl-9E-octadecen-5,7-diynoyloxy)propanoyloxy)propanoic acid | LipidMAPS: LMFA07090167 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 433.25793 |
| Splash: splash10-0uxr-0090000000-3790d10a1347596548a0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 251.14 | 6922 | 182 | 1000 |
| 269.08 | 1988 | 164 | 287 |
| 233.15 | 1829 | 200 | 264 |
| 215.17 | 1429 | 218 | 206 |
| 415.25 | 1182 | 18 | 170 |
| 146.98 | 513 | 286 | 74 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Neovitexin |
| 0.091 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Vitexin |
| 0.091 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Isovitexin |
| 0.091 | [Flavonol]-A(1OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-Glucosylresokaempferol |
| 0.091 | [Isoflavone]-A(1OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-Glucosyl 3'-hydroxydaidzein |
| 0.091 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH) | Isoflavone | Genistein 8-C-glucoside |
| 0.000 | [Flavone]-A(3OMe)-B(4OMe) | Flavone | Agehoustin B |
| 0.000 | [Flavone]-A(4OMe)-B(3OMe) | Flavone | 5,6,7,8,3',4',5'-Heptamethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(3OMe) | Flavone | Agecorynin C |
| 0.000 | [Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(4OMe) | Chalcone | 2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OMe) | Flavanone | Calomelanol G |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH) | Flavone | 8-C-beta-D-Galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-beta-D-Galactosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Chinovosyl))-B(2OH) | Flavone | 6-C-Chinovopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Fucosyl))-B(2OH) | Flavone | 6-C-Fucopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Rhamnosyl))-B(2OH) | Flavone | 8-C-Rhamnopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 5,7,4'-Trihydroxy-3'-methoxyflavone-8-C-beta-D-xylopyranoside |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Artocommunol CA |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | 3,5,6,7,3',4',5'-Heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | Benthamitin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | Hibiscetin heptamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OMe) | Flavonol | 3,5,6,7,8,3',4'-Heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe) | Flavonol | 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone |
| Level: 3, プリカーサーm/z: 251.14496 |
| Splash: splash10-0159-1690000000-1e3da8b4e46d9fb77fee |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 233.17 | 418 | 18 | 1000 |
| 215.24 | 393 | 36 | 941 |
| 135.09 | 78 | 116 | 186 |
| 94.95 | 60 | 156 | 143 |
| 169.10 | 57 | 82 | 135 |
| 136.97 | 54 | 114 | 128 |
| 121.00 | 45 | 130 | 106 |
| 150.95 | 43 | 100 | 102 |
| 149.08 | 39 | 102 | 92 |
| 110.93 | 37 | 140 | 89 |
| 109.03 | 35 | 142 | 83 |
| 80.99 | 34 | 170 | 80 |
| 159.19 | 32 | 92 | 76 |
| 123.11 | 32 | 128 | 75 |
| 195.24 | 28 | 56 | 67 |
| 155.07 | 27 | 96 | 65 |
| 153.01 | 27 | 98 | 64 |
| 173.11 | 27 | 78 | 63 |
| 181.13 | 25 | 70 | 59 |
| 132.91 | 24 | 118 | 57 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 268.99329 |
| Splash: splash10-0udi-0090000000-54d30e8ebd81404a8ad3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 251.18 | 283 | 18 | 1000 |
| 215.26 | 38 | 54 | 135 |
| 233.14 | 20 | 36 | 71 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.053 | [Isoflavone]-A(1OH)-B(1OMe) | Isoflavone | Formononetin |
| 0.053 | [Isoflavone]-A(1OH)-B(1OMe) | Isoflavone | Pallidiflorin |
| 0.053 | [Isoflavone]-A(1OMe)-B(1OH) | Isoflavone | Isoformononetin |
| 0.053 | [Isoflavone]-A(1OH, 1OMe)-B(none) | Isoflavone | 5-Hydroxy-7-methoxyisoflavone |
| 0.000 | [Flavone]-A(1OMe)-B(1OH) | Flavone | Isopratol |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | Trigraecum |
| 0.000 | [Flavone]-A(1OH)-B(1OMe) | Flavone | 5-Hydroxy-2'-methoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | 5-Hydroxy-6-methoxyflavone |
| 0.000 | [Flavone]-A(1OH)-B(1OMe) | Flavone | 6-Hydroxy-4'-methoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | Tectochrysin |
| 0.000 | [Coumestan]-A(1OH)-B(1OH) | Coumestan | Coumestrol |
| 0.000 | [Flavonol]-A(none)-B(1OMe) | Flavonol | 3-Hydroxy-4'-methoxyflavone |
| 0.000 | [Aurone]-A(1OH, 1Methyl)-B(1OH) | Aurone | 6,4'-Dihydroxy-7-methylaurone |
| 0.000 | [Flavanone]-A(1OH, 2Methyl)-B(none) | Flavanone | 7-Hydroxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavone]-A(2OH, 1Methyl)-B(none) | Flavone | Strobochrysin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(none) | 4-phenylcoumarin | Dalbergin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(none) | 4-phenylcoumarin | Isodalbergin |