ピーク情報
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イヌカタヒバ
pos
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| Peak #7731 MN MID: SE205_S02_M90 |
| m/z: 539.09674, RT: 65.23, 強度: 6625010, ログ強度: 3.30, 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: (23 names) Agathisflavone;Robustaflavone;Ochnaflavone;3,3''-Biflavone, 4',4''',5,5'',7,7''-hexahydroxy-;Taiwaniaflavone;Hinokiflavone;Delicaflavone;3-[4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy]-5,7-dih... |
| DBごとのヒット数: ALL 20 KG 5 KN 11 HM 3 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.250 |
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 |
|---|---|---|---|---|
| C30H18O10 | 538.09000 | -0.990 | Agathisflavone | KEGG: C10017 KNApSAcK: C00001014 LipidMAPS: LMPK12040008 |
| C30H18O10 | 538.09000 | -0.990 | Robustaflavone | KEGG: C10179 KNApSAcK: C00001094 LipidMAPS: LMPK12040005 |
| C30H18O10 | 538.09000 | -0.990 | Ochnaflavone | KNApSAcK: C00006542 |
| C30H18O10 | 538.09000 | -0.990 | 3,3''-Biflavone, 4',4''',5,5'',7,7''-hexahydroxy- | HMDB: HMDB0246016 |
| C30H18O10 | 538.09000 | -0.990 | Taiwaniaflavone | KNApSAcK: C00006446 |
| C30H18O10 | 538.09000 | -0.990 | Hinokiflavone | HMDB: HMDB0253172 KEGG: C10057 KNApSAcK: C00001049 |
| C30H18O10 | 538.09000 | -0.990 | Delicaflavone | KNApSAcK: C00014697 |
| C30H18O10 | 538.09000 | -0.990 | LipidMAPS: LMPK12040004 |
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| C30H18O10 | 538.09000 | -0.990 | Lophirone L | KNApSAcK: C00041635 |
| C30H18O10 | 538.09000 | -0.990 | Loniflavone | KNApSAcK: C00035677 |
| C30H18O10 | 538.09000 | -0.990 | 8,'8''-Bibaicalein | KNApSAcK: C00006465 |
| C30H18O10 | 538.09000 | -0.990 | 3-8'-Biapigenin | HMDB: HMDB0038856 KNApSAcK: C00006431 |
| C30H18O10 | 538.09000 | -0.990 | Disulfuretin | KNApSAcK: C00014672 |
| C30H18O10 | 538.09000 | -0.990 | Lanaroflavone | KNApSAcK: C00006541 |
| C30H18O10 | 538.09000 | -0.990 | Sennidin A | HMDB: HMDB0002895 KEGG: C22590, C22591 |
| C30H18O10 | 538.09000 | -0.990 | Amentoflavone | HMDB: HMDB0030832 KEGG: C10018 KNApSAcK: C00001015, C00042224 LipidMAPS: LMPK12040009 |
| C30H18O10 | 538.09000 | -0.990 | Cassiamin B | KNApSAcK: C00032802 |
| C30H18O10 | 538.09000 | -0.990 | 2-(3-(5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one | HMDB: HMDB0250236 |
| C30H18O10 | 538.09000 | -0.990 | Skyrin | KNApSAcK: C00046410 LipidMAPS: LMPK13040019 |
| C30H18O10 | 538.09000 | -0.990 | Cupressuflavone | KEGG: C10034 KNApSAcK: C00001034 LipidMAPS: LMPK12040010 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 539.09503 |
| Splash: splash10-0udi-0002900000-cd3889d5db918bc367d2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 403.15 | 4163959 | 136 | 1000 |
| 377.12 | 1024786 | 162 | 246 |
| 404.13 | 891226 | 135 | 214 |
| 497.19 | 278079 | 42 | 66 |
| 378.14 | 217759 | 161 | 52 |
| 387.19 | 215720 | 152 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(2OH, 1OMe) | Dihydroflavonol | Kenusanone C |
| 0.000 | [Flavan]-A(1OH, 1OMe, 1(1(O-Benzoyl)-2,4,6-Trihydroxy-3-methylstyryl))-B(none) | Flavan | 8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol |
| Level: 3, プリカーサーm/z: 403.15259 |
| Splash: splash10-052b-0009100000-bc7418cf1b2aad707aa2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 347.11 | 982672 | 56 | 1000 |
| 359.13 | 676171 | 44 | 688 |
| 375.12 | 507276 | 28 | 516 |
| 403.12 | 334952 | 0 | 340 |
| 348.15 | 215849 | 55 | 219 |
| 360.23 | 179234 | 43 | 182 |
| 376.24 | 88222 | 27 | 89 |
| 361.20 | 59485 | 42 | 60 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone B |
| 0.188 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | Paraibanol |
| 0.083 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',5',6'-Hexamethoxyflavone |
| 0.083 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,8,3',4',5'-Hexamethoxyflavone |
| 0.083 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',4',6'-Hexamethoxyflavone |
| 0.083 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,7,3',4',5'-Hexamethoxyflavone |
| 0.083 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | Bannamurpanisin |
| 0.083 | [Flavone]-A(4OMe)-B(2OMe) | Flavone | Nobiletin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | 2'-Hydroxychalcone | 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe) | CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone | Antiarone K |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none) | Flavanone | Calomelanol I |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | Flavanone | Calomelanol H |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH) | Flavone | Cerarvensin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomollupentin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Mollupentin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl)) | Dihydroflavonol | Pinobanksin 3-O-cinnamate |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | Myricetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | 3,5,7,2',4',5'-Hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Quercetagetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Gossypetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OMe) | Flavonol | 3,5,6,7,8,4'-Hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Demethylmelibentin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl)) | Pterocarpan-6a-ol | Sphenostylin D |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Inophyllum E |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Tomentolide A |
| Level: 3, プリカーサーm/z: 377.11981 |
| Splash: splash10-004i-0009000000-e083f1012cac2bd2e4c6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 377.13 | 478796 | -0 | 1000 |
| 378.16 | 52445 | -1 | 109 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(none) | Flavanone | Ovaliflavanone A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Spinochalcone A |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Limocitrol |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,8,4'-trimethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(2OH) | Flavonol | 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,4'-Tetrahydroxy-6,3',5'-trimethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Hibiscetin 8,3',5'-trimethyl ether |
| 0.000 | [Pterocarpan]-A(1OH, 2OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Flavanone | 5-O-Methylchamanetin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Benzoyl)) | Dihydroflavonol | Pinobanksin 3-O-benzoate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Dihydroflavonol | Plumbaginol |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 2OMe) | Flavonol | 5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Apuleisin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,8,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 2OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone C |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dehydrorotenone | Dehydromillettone |