ピーク情報
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パセリ 葉
pos
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| Peak #9517 MN MID: SE61_S21_M90 |
| m/z: 433.25817, RT: 82.63, 強度: 312432, ログ強度: 1.91, 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 | -0.683 | Vibsanin G | KNApSAcK: C00043213, C00043997 |
| C25H36O6 | 432.25119 | -0.683 | Boletinin J | KNApSAcK: C00054222 |
| C25H36O6 | 432.25119 | -0.683 | Wortmannilactone B | KNApSAcK: C00040663 |
| C25H36O6 | 432.25119 | -0.683 | Vibsanol B | KNApSAcK: C00045436 |
| C25H36O6 | 432.25119 | -0.683 | L 669262 | KNApSAcK: C00017080 |
| C25H36O6 | 432.25119 | -0.683 | Colupdox a | HMDB: HMDB0039597 |
| C25H36O6 | 432.25119 | -0.683 | Erinacine A | HMDB: HMDB0040291 |
| C25H36O6 | 432.25119 | -0.683 | Hydrocortisone 17-butyrate | HMDB: HMDB0253243 |
| C25H36O6 | 432.25119 | -0.683 | 14R*,15-Epoxyvibsanin C | KNApSAcK: C00032604 |
| C25H36O6 | 432.25119 | -0.683 | Vibsanol A | KNApSAcK: C00045435 |
| C25H36O6 | 432.25119 | -0.683 | 3-Hydroxyvibsanin E | KNApSAcK: C00036551 |
| C25H36O6 | 432.25119 | -0.683 | Wortmannilactone D | KNApSAcK: C00040665 |
| C25H36O6 | 432.25119 | -0.683 | 14-Acetyl-3,19-isopropylideneandrographolide | KNApSAcK: C00034369 |
| C25H36O6 | 432.25119 | -0.683 | Rastevione | KNApSAcK: C00021326, C00021327 |
| C25H36O6 | 432.25119 | -0.683 | Erinacine B | HMDB: HMDB0040390 |
| C25H36O6 | 432.25119 | -0.683 | Vibsanin L | KNApSAcK: C00033483 |
| C25H36O6 | 432.25119 | -0.683 | Espinosanolide 2-methylbutyrate | KNApSAcK: C00022398 |
| C25H36O6 | 432.25119 | -0.683 | 3-Angeloyloxy-2,18-dihydroxy-8(17),13-labdadien-15,16-olide | KNApSAcK: C00023361 |
| C25H36O6 | 432.25119 | -0.683 | 16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide | HMDB: HMDB0255934 |
| C25H36O6 | 432.25119 | -0.683 | Erinacine E | HMDB: HMDB0029656 |
| C25H36O6 | 432.25119 | -0.683 | 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: 433.25790 |
| Splash: splash10-0uxr-0090000000-ae14f5b1509a077064d4 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 251.15 | 75124 | 182 | 1000 |
| 269.04 | 21935 | 164 | 291 |
| 233.23 | 21514 | 200 | 286 |
| 215.19 | 19793 | 218 | 263 |
| 415.17 | 9711 | 18 | 129 |
| 147.08 | 6039 | 286 | 80 |
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: 251.13345 |
| Splash: splash10-00lr-0790000000-f55f480dbf2e107bfd33 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 233.13 | 6566 | 18 | 1000 |
| 215.18 | 5855 | 36 | 891 |
| 135.08 | 1294 | 116 | 197 |
| 137.06 | 1212 | 114 | 184 |
| 151.07 | 1050 | 100 | 159 |
| 123.06 | 1007 | 128 | 153 |
| 95.04 | 856 | 156 | 130 |
| 121.10 | 856 | 130 | 130 |
| 195.08 | 739 | 56 | 112 |
| 149.13 | 657 | 102 | 100 |
| 133.10 | 624 | 118 | 95 |
| 181.10 | 584 | 70 | 88 |
| 169.01 | 552 | 82 | 84 |
| 108.96 | 501 | 142 | 76 |
| 187.11 | 475 | 64 | 72 |
| 155.09 | 364 | 96 | 55 |
| 167.12 | 339 | 84 | 51 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 269.00043 |
| Splash: splash10-0udi-0090000000-6f7b4040ad9f6c2caadf |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 251.25 | 3781 | 18 | 1000 |
| 233.24 | 436 | 36 | 115 |
| 215.21 | 341 | 54 | 90 |
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 |