ピーク情報
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イネ 葉 コシヒカリ
pos
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| Peak #3284 MN MID: SE199_S31_M90 |
| m/z: 435.16525, RT: 42.63, 強度: 27217, ログ強度: 0.88, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (26 names) Scorzodihydrostilbene C;Eleganin;beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone;EI 2346;Lophodiol B;(-)-Lophodiol B;5,6,7,2',3',4',5'-Heptamethoxyflavanone;6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxy... |
| DBごとのヒット数: ALL 23 KG 2 KN 19 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.024 |
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 |
|---|---|---|---|---|
| C22H26O9 | 434.15768 | 0.666 | beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone | FlavonoidViewer: FL1CHYNS0006 KNApSAcK: C00006998 LipidMAPS: LMPK12120400 |
| C22H26O9 | 434.15768 | 0.666 | 5,6,7,2',3',4',5'-Heptamethoxyflavanone | FlavonoidViewer: FL2FELNS0001 KNApSAcK: C00008348 LipidMAPS: LMPK12140640 |
| C22H26O9 | 434.15768 | 0.666 | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone | FlavonoidViewer: FL1CELNS0001 KNApSAcK: C00006991 LipidMAPS: LMPK12120351 |
| C22H26O9 | 434.15768 | 0.666 | Neoraufuracin | FlavonoidViewer: FL1AUNGS0001 KNApSAcK: C00008062 LipidMAPS: LMPK12130057 |
| C22H26O9 | 434.15768 | 0.666 | 5,6,7,8,3',4',5'-Heptamethoxyflavanone | FlavonoidViewer: FL2FGGNS0002 KNApSAcK: C00008417 LipidMAPS: LMPK12140688 |
| C22H26O9 | 434.15768 | 0.666 | 4'-O-Methyldavidioside | FlavonoidViewer: FL1D1AGS0003 KNApSAcK: C00007990 LipidMAPS: LMPK12120447 |
| C22H26O9 | 434.15768 | 0.666 | Scorzodihydrostilbene C | KNApSAcK: C00047562 |
| C22H26O9 | 434.15768 | 0.666 | Eleganin | KEGG: C09401 KNApSAcK: C00003253 |
| C22H26O9 | 434.15768 | 0.666 | EI 2346 | KNApSAcK: C00015018 |
| C22H26O9 | 434.15768 | 0.666 | Lophodiol B | KNApSAcK: C00039653 |
| C22H26O9 | 434.15768 | 0.666 | Zoapatanolide C | KNApSAcK: C00020694 |
| C22H26O9 | 434.15768 | 0.666 | chrysoeriol 6-hexoside (use chrysoeriol_6_glucoside.mol) | HMDB: HMDB0304573 |
| C22H26O9 | 434.15768 | 0.666 | Ferupennin F | KNApSAcK: C00045937 |
| C22H26O9 | 434.15768 | 0.666 | Fluctuadin | KNApSAcK: C00011879 |
| C22H26O9 | 434.15768 | 0.666 | Crocin 5 | HMDB: HMDB0250541 |
| C22H26O9 | 434.15768 | 0.666 | Melcanthin D | KNApSAcK: C00012288 |
| C22H26O9 | 434.15768 | 0.666 | Jamaicolide B | KNApSAcK: C00020456 |
| C22H26O9 | 434.15768 | 0.666 | Liscunditrin | KNApSAcK: C00011751 |
| C22H26O9 | 434.15768 | 0.666 | (3R)-Vestitol 7-O-glucoside | HMDB: HMDB0033012 KNApSAcK: C00049058 |
| C22H26O9 | 434.15768 | 0.666 | Exfoliamycin | KNApSAcK: C00016791 |
| C22H26O9 | 434.15768 | 0.666 | Daldinin C | KNApSAcK: C00052998 |
| C22H26O9 | 434.15768 | 0.666 | Graminiliatrin | KEGG: C09469 KNApSAcK: C00003295 |
| C23H22O5N4 | 434.15902 | -2.415 | Psychrophilin B | KNApSAcK: C00026703 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 435.16507 |
| Splash: splash10-0159-0080900000-8b9dcec20cd1674cd598 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 417.18 | 5285 | 18 | 1000 |
| 233.07 | 3226 | 202 | 610 |
| 263.11 | 1763 | 172 | 333 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.077 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.077 | [Flavanone]-A(4OMe)-B(3OMe) | Flavanone | 5,6,7,8,3',4',5'-Heptamethoxyflavanone |
| 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: 233.10400 |
| Splash: splash10-014i-0090000000-c7029128edd2ee447026 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 218.09 | 431 | 15 | 1000 |
| 200.15 | 150 | 33 | 348 |
| 201.06 | 25 | 32 | 58 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 417.28372 |
| Splash: splash10-00m1-0179000000-a492f1186633ad2d6721 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 233.10 | 402 | 184 | 1000 |
| 399.21 | 295 | 18 | 733 |
| 263.18 | 132 | 154 | 328 |
| 367.19 | 117 | 50 | 291 |
| 166.95 | 87 | 250 | 216 |
| 371.25 | 84 | 46 | 208 |
| 387.26 | 79 | 30 | 195 |
| 339.10 | 71 | 78 | 176 |
| 245.15 | 65 | 172 | 161 |
| 389.33 | 58 | 28 | 145 |
| 200.65 | 46 | 217 | 114 |
| 384.18 | 45 | 33 | 111 |
| 286.40 | 38 | 131 | 94 |
| 402.16 | 37 | 15 | 93 |
| 355.10 | 35 | 62 | 86 |
| 359.07 | 33 | 58 | 81 |
| 205.08 | 32 | 212 | 79 |
| 311.18 | 30 | 106 | 75 |
| 357.18 | 23 | 60 | 57 |
| 157.20 | 22 | 260 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.188 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Munetone |
| 0.040 | [Flavone]-A(1OH, 1(C-Glu))-B(1OH) | Flavone | Bayin |
| 0.040 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 6-C-beta-D-glucopyranoside |
| 0.040 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 8-C-beta-D-glucopyranoside |
| 0.040 | [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 |