ピーク情報
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ミヤコグサ
pos
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| Peak #6795 MN MID: SE205_S07_M90 |
| m/z: 433.25854, RT: 81.62, 強度: 18894, ログ強度: 0.78, 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: 0.083, 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 | 0.175 | Vibsanin G | KNApSAcK: C00043213, C00043997 |
| C25H36O6 | 432.25119 | 0.175 | Boletinin J | KNApSAcK: C00054222 |
| C25H36O6 | 432.25119 | 0.175 | Wortmannilactone B | KNApSAcK: C00040663 |
| C25H36O6 | 432.25119 | 0.175 | Vibsanol B | KNApSAcK: C00045436 |
| C25H36O6 | 432.25119 | 0.175 | L 669262 | KNApSAcK: C00017080 |
| C25H36O6 | 432.25119 | 0.175 | Colupdox a | HMDB: HMDB0039597 |
| C25H36O6 | 432.25119 | 0.175 | Erinacine A | HMDB: HMDB0040291 |
| C25H36O6 | 432.25119 | 0.175 | Hydrocortisone 17-butyrate | HMDB: HMDB0253243 |
| C25H36O6 | 432.25119 | 0.175 | 14R*,15-Epoxyvibsanin C | KNApSAcK: C00032604 |
| C25H36O6 | 432.25119 | 0.175 | Vibsanol A | KNApSAcK: C00045435 |
| C25H36O6 | 432.25119 | 0.175 | 3-Hydroxyvibsanin E | KNApSAcK: C00036551 |
| C25H36O6 | 432.25119 | 0.175 | Wortmannilactone D | KNApSAcK: C00040665 |
| C25H36O6 | 432.25119 | 0.175 | 14-Acetyl-3,19-isopropylideneandrographolide | KNApSAcK: C00034369 |
| C25H36O6 | 432.25119 | 0.175 | Rastevione | KNApSAcK: C00021326, C00021327 |
| C25H36O6 | 432.25119 | 0.175 | Erinacine B | HMDB: HMDB0040390 |
| C25H36O6 | 432.25119 | 0.175 | Vibsanin L | KNApSAcK: C00033483 |
| C25H36O6 | 432.25119 | 0.175 | Espinosanolide 2-methylbutyrate | KNApSAcK: C00022398 |
| C25H36O6 | 432.25119 | 0.175 | 3-Angeloyloxy-2,18-dihydroxy-8(17),13-labdadien-15,16-olide | KNApSAcK: C00023361 |
| C25H36O6 | 432.25119 | 0.175 | 16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide | HMDB: HMDB0255934 |
| C25H36O6 | 432.25119 | 0.175 | Erinacine E | HMDB: HMDB0029656 |
| C25H36O6 | 432.25119 | 0.175 | 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: 433.25839 |
| Splash: splash10-0uxr-0090000000-4db3a5e4091bcfee054d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 251.11 | 6093 | 182 | 1000 |
| 269.00 | 2074 | 164 | 340 |
| 233.14 | 1539 | 200 | 252 |
| 215.11 | 1411 | 218 | 231 |
| 415.05 | 1079 | 18 | 177 |
| 287.09 | 603 | 146 | 98 |
| 147.01 | 529 | 286 | 86 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.083 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Neovitexin |
| 0.083 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Vitexin |
| 0.083 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Isovitexin |
| 0.083 | [Flavonol]-A(1OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-Glucosylresokaempferol |
| 0.083 | [Isoflavone]-A(1OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-Glucosyl 3'-hydroxydaidzein |
| 0.083 | [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: 251.16199 |
| Splash: splash10-00lr-0690000000-95b99fd05e964ffb4389 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 215.19 | 644 | 36 | 1000 |
| 233.20 | 639 | 18 | 992 |
| 149.07 | 115 | 102 | 178 |
| 135.00 | 93 | 116 | 144 |
| 137.05 | 84 | 114 | 130 |
| 80.94 | 79 | 170 | 122 |
| 151.07 | 74 | 100 | 114 |
| 195.09 | 67 | 56 | 103 |
| 120.96 | 64 | 130 | 99 |
| 95.02 | 62 | 156 | 95 |
| 123.08 | 58 | 128 | 90 |
| 108.92 | 57 | 142 | 88 |
| 132.99 | 53 | 118 | 82 |
| 169.04 | 47 | 82 | 72 |
| 155.02 | 44 | 96 | 68 |
| 158.93 | 40 | 92 | 61 |
| 167.05 | 36 | 84 | 55 |
| 111.05 | 33 | 140 | 51 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 269.15344 |
| Splash: splash10-0udi-0090000000-2a9c87bafafb146cafb5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 251.13 | 565 | 18 | 1000 |
| 215.04 | 43 | 54 | 75 |
| 233.13 | 37 | 36 | 64 |
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 |
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
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