ピーク情報
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イヌカタヒバ
pos
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| Peak #8140 MN MID: SE205_S02_M90 |
| m/z: 553.11307, RT: 72.17, 強度: 297495, ログ強度: 1.95, 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: (19 names) Robustaflavone 7''-methyl ether;4'-O-Methylcupressuflavone;7''-Methylagathisflavone;5-Hydroxy-7-methoxyflavone-(4' ->O -> 8'')-4''',5'',7''-trihydroxyflavone;Sotetsuflavone;Cryptomerin A;Robustaflavon... |
| DBごとのヒット数: ALL 17 KN 17 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.091 |
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 |
|---|---|---|---|---|
| C31H20O10 | 552.10565 | 0.271 | Robustaflavone 7''-methyl ether | KNApSAcK: C00006477 |
| C31H20O10 | 552.10565 | 0.271 | 4'-O-Methylcupressuflavone | KNApSAcK: C00006460 |
| C31H20O10 | 552.10565 | 0.271 | 7''-Methylagathisflavone | KNApSAcK: C00014681 |
| C31H20O10 | 552.10565 | 0.271 | 5-Hydroxy-7-methoxyflavone-(4' ->O -> 8'')-4''',5'',7''-trihydroxyflavone | KNApSAcK: C00014695 |
| C31H20O10 | 552.10565 | 0.271 | Sotetsuflavone | KNApSAcK: C00006489 |
| C31H20O10 | 552.10565 | 0.271 | Cryptomerin A | KNApSAcK: C00006536 |
| C31H20O10 | 552.10565 | 0.271 | 7-O-Methylcupressuflavone | KNApSAcK: C00006459 |
| C31H20O10 | 552.10565 | 0.271 | Robustaflavone 4'-methyl ether | KNApSAcK: C00014728 |
| C31H20O10 | 552.10565 | 0.271 | 7-O-methylamentoflavone | KNApSAcK: C00006487 |
| C31H20O10 | 552.10565 | 0.271 | 7-O-Methylagathisflavone | KNApSAcK: C00006452 |
| C31H20O10 | 552.10565 | 0.271 | Isocryptomerin | KNApSAcK: C00006535 |
| C31H20O10 | 552.10565 | 0.271 | Taiwaniaflavone 7''-O-methyl ether | KNApSAcK: C00006447 |
| C31H20O10 | 552.10565 | 0.271 | Ochnaflavone 4'-methyl ether | KNApSAcK: C00006543 |
| C31H20O10 | 552.10565 | 0.271 | Neocryptomerin | KNApSAcK: C00006534 |
| C31H20O10 | 552.10565 | 0.271 | Podocarpusflavone | KNApSAcK: C00006490 |
| C31H20O10 | 552.10565 | 0.271 | Bilobetin | HMDB: HMDB0030833 KNApSAcK: C00006488 LipidMAPS: LMPK12040013 |
| C31H20O10 | 552.10565 | 0.271 | 7''-O-Methylochnaflavone | KNApSAcK: C00006544 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 553.11200 |
| Splash: splash10-0ufr-0000920000-0f6e36caa9c56a390b49 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 401.16 | 79454 | 152 | 1000 |
| 427.19 | 62864 | 126 | 791 |
| 521.13 | 25005 | 32 | 314 |
| 553.25 | 21531 | -0 | 270 |
| 402.22 | 17646 | 151 | 222 |
| 428.16 | 15409 | 125 | 193 |
| 418.16 | 9081 | 135 | 114 |
| 522.22 | 7965 | 31 | 100 |
| 435.12 | 6044 | 118 | 76 |
| 511.22 | 4640 | 42 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1(O-p-Hydroxybenzoyl)-C-Glu))-B(1OH) | Flavone | Vitexin 2''-p-hydroxybenzoate |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(1-(4-Hydroxyphenyl)ethyl))-B(1OH) | Flavone | Cucumerin B |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(1-(4-Hydroxyphenyl)ethyl))-B(1OH) | Flavone | Cucumerin A |
| Level: 3, プリカーサーm/z: 427.15332 |
| Splash: splash10-004i-0003900000-f203fd14817de7170ef3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 427.17 | 20315 | -0 | 1000 |
| 309.07 | 7050 | 118 | 347 |
| 428.23 | 2378 | -1 | 117 |
| 310.14 | 1872 | 117 | 92 |
| 384.19 | 1602 | 43 | 78 |
| 412.23 | 1056 | 15 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl)) | Flavan 3-ol | Afzelechin 3-O-gallate |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Gallocatechin 3-O-p-hydroxybenzoate |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Dihydrochalcone | 2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH) | Dihydrochalcone | 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH) | Dihydrochalcone | 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone beta-ol | Ponganone VIII |
| 0.000 | [Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none) | Flavanone | Tephrorin A |
| 0.000 | [Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH) | Flavanone | Kushenol T |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl)) | Flavanone | Propolin E |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavan | Broussoflavan A |
| 0.000 | [6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxyrotenone | Villosin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Dalbinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Villosinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 11-Hydroxytephrosin |
| Level: 3, プリカーサーm/z: 401.20306 |
| Splash: splash10-0uei-0057900000-6ca3db4cf5c2024eb3d0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 401.17 | 16551 | 0 | 1000 |
| 386.21 | 8650 | 15 | 522 |
| 283.12 | 8424 | 118 | 508 |
| 284.20 | 1837 | 117 | 110 |
| 358.16 | 1558 | 43 | 94 |
| 387.20 | 1392 | 14 | 84 |
| 373.15 | 1302 | 28 | 78 |
| 359.06 | 1197 | 42 | 72 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.158 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kenusanone E |
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone |
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Isotirumalin |
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Scariosin |
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Tirumalin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(4-Formyl-5-(p-Hydroxyphenyl)furano))) | 2'-Hydroxychalcone | Lophirone D |
| 0.000 | [Flavanone]-A(1OMe)-B(1([2,3:@@]-(5-(p-Methoxyphenyl)furano))) | Flavanone | Lophirone J |
| 0.000 | [Flavone]-A(2OH, 1(C-Digitoxopyranosyl))-B(1OH) | Flavone | Torosaflavone A |
| 0.000 | [Flavone]-A(2OH, 1(C-(beta-D-Oliosyl))-B(1OH) | Flavone | 6-C-beta-D-Oliopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-(beta-D-Boivinosyl))-B(1OH) | Flavone | 6-C-beta-D-Boivinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-(beta-D-Epioliosyl))-B(1OH) | Flavone | 6-C-beta-D-Epioliosylapigenin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Angeloyl)) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-angelate |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | Flavonol | 8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone |
| 0.000 | [Flavonol]-A(2OH, 1(3-methylsuccinoyl))-B(1OH) | Flavonol | 3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe) | Flavonol | Brevicornin |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Isoflavanone-3-ol | Echinoisoflavanone |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(2,3-Dihydroxy-3-methylbutyl)) | Coumestan | Mirificoumestan glycol |