ピーク情報
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（かんきつ類） レモン 全果 生
pos
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| Peak #3789 MN MID: SE123_S071551_M90 |
| m/z: 655.18774, RT: 44.71, 強度: 412078, ログ強度: 2.08, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 16 |
| DB検索結果: (24 names) Syringetin 3-rutinoside;Malvin;5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone 7-O-(6''-glucosylglucoside);Rhamnazin 3-galactoside-4'-glucoside;Iristectorigenin A 7-O-gentiobioside;Rhamnazin 3-sophoroside;... |
| DBごとのヒット数: ALL 20 KG 1 KN 16 HM 3 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.071 |
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 |
|---|---|---|---|---|
| C29H34O17 | 654.17960 | 1.314 | 5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone 7-O-(6''-glucosylglucoside) | KNApSAcK: C00019131 |
| C29H34O17 | 654.17960 | 1.314 | Rhamnazin 3-sophoroside | HMDB: HMDB0038235 |
| C29H34O17 | 654.17960 | 1.314 | Clemochinenoside B | KNApSAcK: C00038808 |
| C29H34O17 | 654.17960 | 1.314 | Monoxerutin | HMDB: HMDB0254873 |
| C29H34O17 | 654.17960 | 1.314 | Spinacetin 3-rutinoside | HMDB: HMDB0037470 |
| C29H34O17 | 654.17960 | 1.314 | Syringetin 3-rutinoside | FlavonoidViewer: FL5FAIGL0002, FL5FAIGS0005 KNApSAcK: C00005780, C00013985 LipidMAPS: LMPK12112489, LMPK12112497 |
| C29H34O17 | 654.17960 | 1.314 | Malvin | FlavonoidViewer: [1]FL7AAIGO0001 HMDB: [1]HMDB0038009, [1f]HMDB0302848 KEGG: [1]C08718 KNApSAcK: [1]C00002384, [1]C00051451 |
| C29H34O17 | 654.17960 | 1.314 | Rhamnazin 3-galactoside-4'-glucoside | FlavonoidViewer: FL5FCDGA0002 KNApSAcK: C00005610 LipidMAPS: LMPK12112630 |
| C29H34O17 | 654.17960 | 1.314 | Iristectorigenin A 7-O-gentiobioside | FlavonoidViewer: FLIAECGS0005 KNApSAcK: C00010148 LipidMAPS: LMPK12050397 |
| C29H34O17 | 654.17960 | 1.314 | Tricin 5,7-diglucoside | FlavonoidViewer: FL3FAIGS0009 KNApSAcK: C00004467 LipidMAPS: LMPK12110867 |
| C29H34O17 | 654.17960 | 1.314 | 6,8-Di-C-glucopyranosyltricin | FlavonoidViewer: FL3FAICS0005 KNApSAcK: C00006295 LipidMAPS: LMPK12110857 |
| C29H34O17 | 654.17960 | 1.314 | Limocitrin 7-neohesperidoside | FlavonoidViewer: FL5FFCGS0018 KNApSAcK: C00005721 LipidMAPS: LMPK12113211 |
| C29H34O17 | 654.17960 | 1.314 | Malvidin 3-laminaribioside | FlavonoidViewer: [1]FL7AAIGL0003 HMDB: [1]HMDB0038033 KNApSAcK: [1]C00006738 LipidMAPS: [1]LMPK12010374 |
| C29H34O17 | 654.17960 | 1.314 | Limocitrin 3-rutinoside | FlavonoidViewer: FL5FFCGL0012 HMDB: HMDB0037579 KNApSAcK: C00005719 LipidMAPS: LMPK12113191 |
| C29H34O17 | 654.17960 | 1.314 | Malvidin 3-diglucoside | FlavonoidViewer: [1]FL7AAIGL0002 KNApSAcK: [1]C00006737 LipidMAPS: [1]LMPK12010373 |
| C29H34O17 | 654.17960 | 1.314 | Dillenetin 3,7-diglucoside | FlavonoidViewer: FL5FAFGL0003 KNApSAcK: C00005621 LipidMAPS: LMPK12110610 |
| C29H34O17 | 654.17960 | 1.314 | Isopyrenin 7-O-glucoside | FlavonoidViewer: FL3FAIDS0001 KNApSAcK: C00006297 LipidMAPS: LMPK12110858 |
| C29H34O17 | 654.17960 | 1.314 | Malvidin 3-gentiobiside | FlavonoidViewer: [1]FL7AAIGL0004 KNApSAcK: [1]C00006739 LipidMAPS: [1]LMPK12010375 |
| C29H34O17 | 654.17960 | 1.314 | Malvidin 3,7-diglucoside | FlavonoidViewer: [1]FL7AAIGL0006 KNApSAcK: [1]C00006742 LipidMAPS: [1]LMPK12010377 |
| C29H34O17 | 654.17960 | 1.314 | 6-Hydroxytricetin 6,3',5'-trimethyl eter 7-alpha-L-arabinosyl-(1->6)-glucoside | FlavonoidViewer: FL3FEGGS0003 KNApSAcK: C00013723 LipidMAPS: LMPK12111262 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 655.18628 |
| Splash: splash10-0002-0009010000-9d00ba133aa9f0248fa7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 347.12 | 134228 | 308 | 1000 |
| 508.89 | 25616 | 146 | 190 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-glucopyranosyltricin |
| Level: 3, プリカーサーm/z: 347.12012 |
| Splash: splash10-001i-0009000000-bd1cdec054f81b372897 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 332.08 | 117713 | 15 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.200 | [Flavone]-A(1OH, 2OMe)-B(3OH) | Flavone | 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | Ganhuangenin |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone |
| 0.200 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.200 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | Leucanthogenin |
| 0.200 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone |
| 0.200 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.111 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OH) | 2'-Hydroxychalcone | Hamilcone |
| 0.091 | [Flavanone]-A(1OH, 3OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7,8-trimethoxyflavanone |
| 0.091 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone |
| 0.091 | [Flavanone]-A(2OH, 2OMe)-B(1OMe) | Flavanone | 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.091 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone |
| 0.091 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone |
| 0.091 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | Agestricin D |
| 0.091 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone |
| 0.091 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.063 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Inucrithmin |
| 0.063 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Myricetin 7,4'-dimethyl ether |
| 0.063 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Myricetin 3',4'-dimethyl ether |
| 0.063 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Syringetin |
| 0.063 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Viscidulin III |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Spinacetin |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Laciniatin |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 7,3'-dimethyl ether |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3',8-dimethyl ether |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 7,4'-dimethyl ether |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Limocitrin |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 8,4'-dimethyl ether |
| 0.063 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Eupatolitin |
| 0.063 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Zanthoxyl flavone |
| 0.000 | [Dihydrochalcone]-A(1OH, 4OMe)-B(none) | Dihydrochalcone | Dihydrokanakugiol |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Dihydrochalcone | 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | Taxifolin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Myricetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Artemexitin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH, 1OMe) | Flavonol | Dumosol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Alluaudiol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Axillarin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Tomentin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,8-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(1OH) | Flavonol | 5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavan 3,4-diol | 3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Amorphaquinone |
| Level: 3, プリカーサーm/z: 508.88568 |
| Splash: splash10-0002-0009000000-da7e18255d981fe3e384 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 347.09 | 10731 | 162 | 1000 |
| 491.14 | 816 | 18 | 76 |
| 389.08 | 791 | 120 | 73 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.071 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl)) | Dihydroflavonol | Petalostemumol |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(2OH, 1Geranyl) | Flavanone | Tanariflavanone A |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone J |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(3OH) | Flavanone | Tomentosanol E |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(2OH) | Dihydroflavonol | Kushenol M |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl) | Dihydroflavonol | Sanggenol K |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH, 1(C-Prenyl), 1Geranyl) | Dihydroflavonol | Sanggenol D |