ピーク情報
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イヌカタヒバ
pos
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| Peak #4480 MN MID: SE205_S02_M90 |
| m/z: 437.18033, RT: 43.73, 強度: 31603, ログ強度: 0.98, アダクト: [M+CH3OH+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) p38 MAP Kinase Inhibitor III;Nitidanin;Mallotophenone;Citromitin;Desoxyrhaponticin;Pinostilbenoside;Ferupennin K;(-)-Ferupennin K;Angeliferulate;(+)-Angeliferulate;[3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]-... |
| DBごとのヒット数: ALL 21 KG 1 KN 15 HM 4 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.071, MS3: 0.050 |
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 |
|---|---|---|---|---|
| C23H21N4SF | 404.14710 | -0.634 | p38 MAP Kinase Inhibitor III | HMDB: HMDB0256065 |
| C21H24O8 | 404.14712 | -0.688 | Nitidanin | KNApSAcK: C00041702 |
| C21H24O8 | 404.14712 | -0.688 | Citromitin | HMDB: HMDB0037313 |
| C21H24O8 | 404.14712 | -0.688 | Mallotophenone | KEGG: C10708 KNApSAcK: C00002702 |
| C21H24O8 | 404.14712 | -0.688 | Pinostilbenoside | HMDB: HMDB0039273 |
| C21H24O8 | 404.14712 | -0.688 | 3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside | HMDB: HMDB0034117, HMDB0302913 KNApSAcK: C00015395 |
| C21H24O8 | 404.14712 | -0.688 | Ferupennin K | KNApSAcK: C00045942 |
| C21H24O8 | 404.14712 | -0.688 | [3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid | KNApSAcK: C00012087 |
| C21H24O8 | 404.14712 | -0.688 | Angeliferulate | KNApSAcK: C00041337 |
| C21H24O8 | 404.14712 | -0.688 | kaempferol 7-O-neohesperidoside | HMDB: HMDB0304572 |
| C21H24O8 | 404.14712 | -0.688 | LipidMAPS: LMPK12070001 |
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| C21H24O8 | 404.14712 | -0.688 | Orientalide | KNApSAcK: C00012233 |
| C21H24O8 | 404.14712 | -0.688 | (+)-8-Hydroxy-alpha-conidendric acid methyl ester | KNApSAcK: C00036295 |
| C21H24O8 | 404.14712 | -0.688 | Ferupennin J | KNApSAcK: C00045941 |
| C21H24O8 | 404.14712 | -0.688 | Bafoudiosbulbin F | KNApSAcK: C00033664 |
| C21H24O8 | 404.14712 | -0.688 | Koaburanin | FlavonoidViewer: FL6FA9GS0001 KNApSAcK: C00008770 LipidMAPS: LMPK12020253 |
| C21H24O8 | 404.14712 | -0.688 | 5,6,7,3',4',5'-Hexamethoxyflavanone | FlavonoidViewer: FL2FEGNS0005 KNApSAcK: C00014141 LipidMAPS: LMPK12140639 |
| C21H24O8 | 404.14712 | -0.688 | Ferupennin N | KNApSAcK: C00045945 |
| C21H29ON2Br | 404.14632 | 1.274 | Flustramine H | KNApSAcK: C00047883 |
| C21H29ON2Br | 404.14632 | 1.274 | Flustramine N | KNApSAcK: C00047889 |
| C21H29ON2Br | 404.14632 | 1.274 | Flustramine L | KNApSAcK: C00047887 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 437.18021 |
| Splash: splash10-06ri-0097100000-4ebfb726a625f90851f6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 387.13 | 12745 | 50 | 1000 |
| 211.08 | 6600 | 226 | 517 |
| 205.08 | 6090 | 232 | 477 |
| 225.10 | 3101 | 212 | 243 |
| 405.12 | 2217 | 32 | 173 |
| 193.11 | 1489 | 244 | 116 |
| 419.13 | 824 | 18 | 64 |
| 359.15 | 816 | 78 | 63 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.071 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavone | 2'-Methoxylupalbigenin |
| 0.071 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | 6,8-Diprenylpratensein |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2'-Hydroxychalcone | Orotinichalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Glu))-B(1OH) | Dihydrochalcone | Nothofagin |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydrochalcone alpha-ol | Coatline A |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydrochalcone beta-ol | Pterosupin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone G |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone F |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavanone | 3'-Methoxylupinifolin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavanone | Fleminone |
| 0.000 | [Flavanone]-A(1OH, 2OMe, 1(2,5-Dihydroxybenzyl))-B(none) | Flavanone | Macrophyllol A (flavone) |
| 0.000 | [Flavone]-A(2OH, 1Geranyl)-B(1OH, 1OMe) | Flavone | Cannflavin A |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Artocarpin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH, 1(C-Prenyl)) | Flavone | Artobilichromene |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | 3-substituted Flavone | Artonin E |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH, 1(C-Prenyl)) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin J |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | 3-Methoxyminimiflorin |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | 3-O-methyllupinifolinol |
| 0.000 | [Dihydroflavonol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | 3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone | Sanggenon A |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone | Sanggenon M |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavonol | Broussonol B |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavonol | Broussonol A |
| 0.000 | [Flavonol]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Flavonol | Petalopurpurenol |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | 9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]catechin-8-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Cinnamoyl)) | Flavan 3-ol | Gallocatechin 3-O-cinnamate |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 4-ol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [4,2']-Epoxyflavan 4-ol | 4,6'-Epoxyorotiniflavan-4-ol |
| 0.000 | [Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe) | Isoflavone | 1'',2''-Dihydro-O-methylcyclopomiferin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Lupinisoflavone K |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone L |
| 0.000 | [Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe) | Isoflavone | 1'',2''-Dihydro-2'-hydroxycycloosajin |
| 0.000 | [Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | 2'-O-Methylcajanone |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Coumaranochromon | Euchretin B |
| 0.000 | [alpha-Phenyldihydrocoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | alpha-Phenyldihydrocoumarinic acid | Chapelieric acid methyl ester |
| Level: 3, プリカーサーm/z: 211.03806 |
| Splash: splash10-0006-0900000000-24f18cee3d93503831bd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 193.05 | 1010 | 18 | 1000 |
| 166.99 | 129 | 44 | 127 |
| 179.08 | 87 | 32 | 86 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(none)-B(none) | Dihydrochalcone | Dihydrochalcone |
| Level: 3, プリカーサーm/z: 387.18100 |
| Splash: splash10-0a4i-0193000000-3785015b1bba90996b25 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 205.11 | 335 | 182 | 1000 |
| 357.27 | 74 | 30 | 220 |
| 359.24 | 37 | 28 | 109 |
| 181.09 | 34 | 206 | 100 |
| 166.95 | 32 | 220 | 95 |
| 355.21 | 25 | 32 | 73 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.050 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kushenol V |
| 0.050 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kushenol W |
| 0.050 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kenusanone D |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | 2'-Hydroxychalcone | 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | Flavanone | Calomelanol J |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none) | Flavone | Fulvinervin B |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe) | Flavone | 5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Linderoflavone B |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | Topazolin hydrate |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe) | Flavonol | Icaritin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melisimplexin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Meliternin |
| 0.000 | [Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol |
| 0.000 | [Flavan 3,4-diol (4-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol |
| 0.000 | [Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Isoflavone | Kwakhurin hydrate |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe) | Isoflavone | Irisflorentin |
| 0.000 | [Isoflavone]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone |
| 0.000 | [Isoflavanone-3-ol]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavanone-3-ol | Secundifloran |