ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #7937 MN MID: SE198_S12_M90 |
| m/z: 587.17657, RT: 47.70, 強度: 200582, ログ強度: 1.81, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (2 names) Amarogentin;Phyllanthostatin A |
| DBごとのヒット数: ALL 2 KG 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.037 |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
|
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 |
|---|---|---|---|---|
| C29H30O13 | 586.16864 | 1.121 | Amarogentin | HMDB: HMDB0248275 KEGG: C09767 KNApSAcK: C00003070 |
| C29H30O13 | 586.16864 | 1.121 | Phyllanthostatin A | KEGG: C10870 KNApSAcK: C00002618 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 587.17578 |
| Splash: splash10-000i-0000900000-f7f31c3741a172a1f655 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 435.15 | 18406 | 152 | 1000 |
| 417.15 | 2285 | 170 | 124 |
| 399.15 | 1519 | 188 | 82 |
| 569.14 | 977 | 18 | 53 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 435.14398 |
| Splash: splash10-01ba-0039600000-c79c3b5ffabbbcd7dac7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 417.18 | 1103 | 18 | 1000 |
| 399.20 | 750 | 36 | 680 |
| 371.19 | 395 | 64 | 358 |
| 321.15 | 196 | 114 | 178 |
| 223.13 | 186 | 212 | 168 |
| 227.12 | 158 | 208 | 143 |
| 253.09 | 123 | 182 | 111 |
| 405.22 | 121 | 30 | 109 |
| 389.21 | 104 | 46 | 94 |
| 241.12 | 93 | 194 | 84 |
| 311.08 | 88 | 124 | 80 |
| 299.12 | 83 | 136 | 75 |
| 359.12 | 74 | 76 | 67 |
| 353.02 | 66 | 82 | 60 |
| 335.07 | 65 | 100 | 58 |
| 381.19 | 63 | 54 | 57 |
| 293.19 | 57 | 142 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [Flavanone]-A(4OMe)-B(3OMe) | Flavanone | 5,6,7,8,3',4',5'-Heptamethoxyflavanone |
| 0.077 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.040 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 3OMe) | Flavone | Agehoustin D |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(4OMe) | beta-Hydroxy(or Oxodihydro)chalcone | beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(2OH) | Flavanone | Palodulcin B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Hemiphloin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Isohemiphloin |
| 0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxyphenyl)-dihydro[1,4]dioxinyl))) | Flavone | Sinaticin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin A |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artobiloxanthone |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartobiloxanthone |
| 0.000 | [Flavonol (3-OMe)]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Macaflavone II |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin A |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OH, 1OMe) | Flavonol | 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | Digicitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Mundulone |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | Auriculin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Scandenin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpic acid |
| Level: 3, プリカーサーm/z: 417.15979 |
| Splash: splash10-0002-0129000000-fb7e1a7c7345a455336d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 399.25 | 86 | 18 | 1000 |
| 371.18 | 18 | 46 | 213 |
| 387.29 | 17 | 30 | 196 |
| 241.20 | 14 | 176 | 160 |
| 253.12 | 14 | 164 | 159 |
| 227.13 | 9 | 190 | 107 |
| 347.18 | 9 | 70 | 100 |
| 158.92 | 8 | 258 | 87 |
| 225.23 | 7 | 192 | 78 |
| 187.20 | 6 | 230 | 74 |
| 373.43 | 6 | 44 | 71 |
| 321.14 | 5 | 96 | 56 |
| 311.41 | 5 | 106 | 55 |
| 309.21 | 5 | 108 | 53 |
| 169.06 | 4 | 248 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.179 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Munetone |
| 0.050 | [Flavone]-A(1OH, 1(C-Glu))-B(1OH) | Flavone | Bayin |
| 0.050 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 6-C-beta-D-glucopyranoside |
| 0.050 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 8-C-beta-D-glucopyranoside |
| 0.050 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OH) | Isoflavone | 8-Glucosyldaidzein |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomolludistin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH) | Flavone | Molludistin |
| 0.000 | [Flavone]-A(2OH, 1(C-Rhamnosyl))-B(1OH) | Flavone | Isofurcatain |
| 0.000 | [Flavone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | Eupalestin |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OH) | Flavonol | Calomelanol D |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melibentin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Flavonol | Melicophyllin |
| 0.000 | [6-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe)-C(1(O-Acetyl)) | 6-Hydroxyrotenone | Dihydrostemonal 6-O-acetate |
| 0.000 | [4-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Tiglyl)-B(none) | 4-phenylcoumarin | Apetalolide |