ピーク情報
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＜調味料類＞（ウスターソース類） ウスターソース
pos
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| Peak #2228 MN MID: SE120_S170011_M90 |
| m/z: 593.18692, RT: 51.85, 強度: 8265, ログ強度: 0.24, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 10 |
| DB検索結果: (35 names) Cannabin;Cytisoside 3''-O-beta-D-rhamnopyranoside;1,2-Bis-O-sinapoyl-beta-D-glucose;1,2-Bis-O-sinapoyl-beta-D-glucoside;Biochanin A 7-O-rutinoside;Isowertin 2''-rhamnoside;ax-4''-Hydroxy-3-'-methoxyma... |
| DBごとのヒット数: ALL 28 KG 2 KN 25 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.200 |
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 |
|---|---|---|---|---|
| C28H32O14 | 592.17921 | 0.735 | Cannabin | FlavonoidViewer: FL5FA9GL0003 KNApSAcK: C00005126 LipidMAPS: LMPK12111631 |
| C28H32O14 | 592.17921 | 0.735 | Cytisoside 3''-O-beta-D-rhamnopyranoside | FlavonoidViewer: FL3FABCS0011 KNApSAcK: C00014058 LipidMAPS: LMPK12110442 |
| C28H32O14 | 592.17921 | 0.735 | Biochanin A 7-O-rutinoside | FlavonoidViewer: FLIAABGS0002 KNApSAcK: C00010113 LipidMAPS: LMPK12050220 |
| C28H32O14 | 592.17921 | 0.735 | 1,2-Bis-O-sinapoyl-beta-D-glucose | KEGG: C04275 |
| C28H32O14 | 592.17921 | 0.735 | Isoswertisin 2''-O-rhamnoside | FlavonoidViewer: FL3FCACS0021 HMDB: HMDB0037417 KEGG: C12629 KNApSAcK: C00006278 LipidMAPS: LMPK12110990 |
| C28H32O14 | 592.17921 | 0.735 | 2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteoiin | FlavonoidViewer: FL3FADCS0021 HMDB: HMDB0030238, HMDB0301974 KNApSAcK: C00014066 LipidMAPS: LMPK12110758 |
| C28H32O14 | 592.17921 | 0.735 | Longitin | FlavonoidViewer: FL3FABGS0005 HMDB: HMDB0254097 KNApSAcK: C00004205, C00037433 LipidMAPS: LMPK12110449 |
| C28H32O14 | 592.17921 | 0.735 | Derriscandenoside B | KNApSAcK: C00019109 |
| C28H32O14 | 592.17921 | 0.735 | Retusin 7-O-neohesperidoside | FlavonoidViewer: FLIA3AGS0001 KNApSAcK: C00010090 LipidMAPS: LMPK12050129 |
| C28H32O14 | 592.17921 | 0.735 | Formononetin 7-O-laminaribioside | FlavonoidViewer: FLIA1AGS0007 KNApSAcK: C00010082 LipidMAPS: LMPK12050019 |
| C28H32O14 | 592.17921 | 0.735 | Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside] | FlavonoidViewer: FL2F1AGS0006 HMDB: HMDB0035444 KNApSAcK: C00014308 LipidMAPS: LMPK12140026 |
| C28H32O14 | 592.17921 | 0.735 | Fagovatin | FlavonoidViewer: FL3FCACS0018 KNApSAcK: C00006266 LipidMAPS: LMPK12110987 |
| C28H32O14 | 592.17921 | 0.735 | Isomargaritene | FlavonoidViewer: FL3FABCS0004 HMDB: HMDB0037415 KNApSAcK: C00006271 LipidMAPS: LMPK12110435 |
| C28H32O14 | 592.17921 | 0.735 | Saikoisoflavonoside A | KNApSAcK: C00019363 |
| C28H32O14 | 592.17921 | 0.735 | Acacetin 7-neohesperidoside | FlavonoidViewer: FL3FABGS0006 KNApSAcK: C00004206 LipidMAPS: LMPK12110450 |
| C28H32O14 | 592.17921 | 0.735 | Kaempferide 3,7-dirhamnoside | FlavonoidViewer: FL5FABGS0007 KNApSAcK: C00005295 LipidMAPS: LMPK12110554 |
| C28H32O14 | 592.17921 | 0.735 | Afromosin 7-O-(2''-apiosylglucoside) | KNApSAcK: C00019125 |
| C28H32O14 | 592.17921 | 0.735 | 7,4'-Di-O-Methylisomollupentin 2''-O-glucoside | FlavonoidViewer: FL3FCBCS0004, FL3FCBCS0009 KNApSAcK: C00006291, C00014059 LipidMAPS: LMPK12111022 |
| C28H32O14 | 592.17921 | 0.735 | Isoswertisin 4'-O-rhamnoside | FlavonoidViewer: FL3FCADS0006 HMDB: HMDB0301876 KNApSAcK: C00006353 LipidMAPS: LMPK12111008 |
| C28H32O14 | 592.17921 | 0.735 | 5,4'-Dimethoxyflavone 7-xylosyl-(1->6)-glucoside | FlavonoidViewer: FL3FBBGS0001 KNApSAcK: C00013684 LipidMAPS: LMPK12110958 |
| C28H32O14 | 592.17921 | 0.735 | Torosaflavone B 3'-O-beta-D-glucopyranoside | FlavonoidViewer: FL3FAEDS0001 KNApSAcK: C00014070 LipidMAPS: LMPK12110809 |
| C28H32O14 | 592.17921 | 0.735 | Margaritene | FlavonoidViewer: FL3FABCS0005 HMDB: HMDB0037540 KNApSAcK: C00006280 LipidMAPS: LMPK12110436 |
| C28H32O14 | 592.17921 | 0.735 | Pelargonidin 3-sophoroside | HMDB: [1]HMDB0033679 |
| C28H32O14 | 592.17921 | 0.735 | Baicalein 6-methyl ether 7-glucosyl-(1->3)-rhamnoside | FlavonoidViewer: FL3FE9GS0012 KNApSAcK: C00013599 LipidMAPS: LMPK12111092 |
| C28H32O14 | 592.17921 | 0.735 | Swertisin 2''-O-rhamnoside | FlavonoidViewer: FL3FCACS0016 KNApSAcK: C00006264 LipidMAPS: LMPK12110985 |
| C28H32O14 | 592.17921 | 0.735 | Isocytisoside 3''-O-alpha-L-rhamnopyranoside | FlavonoidViewer: FL3FABCS0008 KNApSAcK: C00014055 LipidMAPS: LMPK12110439 |
| C28H32O14 | 592.17921 | 0.735 | Liquiritigenin 7-(3-acetylapiofuranoside)-4'-glucoside | FlavonoidViewer: FL2F1AGS0005 KNApSAcK: C00014307 LipidMAPS: LMPK12140025 |
| C28H32O14 | 592.17921 | 0.735 | Flavocummelin | FlavonoidViewer: FL3FCADS0002 KNApSAcK: C00006267 LipidMAPS: LMPK12111004 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 593.18677 |
| Splash: splash10-0002-0020900000-726be9ab2bf21cd48619 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 447.09 | 9461 | 146 | 1000 |
| 285.09 | 3153 | 308 | 333 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 447.09308 |
| Splash: splash10-000i-0090000000-cd8b384355acfd765528 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 285.11 | 12776 | 162 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OMe) | Flavone | Cytisoside |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Flavone | Isoswertisin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OMe) | Flavone | Isocytisoside |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Flavone | Swertisin |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OH, 1OMe) | Isoflavone | Pueraria glycoside 3 |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Isoflavone | Prunetin 8-C-glucoside |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-(2-Hydroxy-5-methoxycarbonylphenyl)furano)))-B(none) | Dihydrochalcone | Longicaudatin |
| 0.000 | [Flavone]-A(2OH, 1(C-Fucosyl))-B(1OH, 1OMe) | Flavone | 6-C-fucosyl-3'-methoxyluteoiin |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (4'-Hydroxy)]-A(1OH)-B(1OH, 2OMe) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin | Malvidin 4-vinylphenol |
| Level: 3, プリカーサーm/z: 285.06482 |
| Splash: splash10-00di-0090000000-ee55d8752a18e5d38c69 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 270.07 | 463 | 15 | 1000 |
| 242.09 | 55 | 43 | 119 |
| 174.94 | 24 | 110 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Flavone]-A(1OH)-B(1OH, 1OMe) | Flavone | Geraldone |
| 0.200 | [Flavone]-A(1OH)-B(1OH, 1OMe) | Flavone | Farnisin |
| 0.200 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | 7,2'-Dihydroxy-5-methoxyflavone |
| 0.200 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Echioidinin |
| 0.200 | [Flavone]-A(2OH)-B(1OMe) | Flavone | Acacetin |
| 0.200 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Thevetiaflavone |
| 0.200 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Genkwanin |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Baicalein 5-methyl ether |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Oroxylin A |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Negletein |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | 5,8-Dihydroxy-7-methoxyflavone |
| 0.200 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Wogonin |
| 0.133 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Zuccagin |
| 0.133 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Galangin 5-methyl ether |
| 0.133 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Izalpinin |
| 0.133 | [Flavonol]-A(1OMe)-B(1OH) | Flavonol | 5-Deoxyrhamnocitrin |
| 0.111 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Texasin |
| 0.111 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Retusin(Dalbergia) |
| 0.111 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Biochanin A |
| 0.111 | [Isoflavone]-A(2OH, 1OMe)-B(none) | Isoflavone | 5,7-Dihydroxy-6-methoxyisoflavone |
| 0.111 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 7,2'-Dihydroxy-6-methoxyisoflavone |
| 0.111 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Glycitein |
| 0.111 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Kakkatin |
| 0.111 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 5-O-Methylgenistein |
| 0.111 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Prunetin |
| 0.111 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | 3'-Methoxydaidzein |
| 0.111 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Calycosin |
| 0.111 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Xenognosin B |
| 0.111 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Teralin |
| 0.091 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none) | 2'-Hydroxychalcone | Flavokawin B |
| 0.091 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4,4'-dimethyl ether |
| 0.077 | [Chalcone]-A(1OMe)-B(1OH, 1OMe) | Chalcone | Glypallichalcone |
| 0.077 | [Flavanone]-A(2OMe)-B(none) | Flavanone | 7,8-Dimethoxyflavanone |
| 0.077 | [Flavanone]-A(2OMe)-B(none) | Flavanone | Pinocembrin 5,7-dimethyl ether |
| 0.000 | [Coumestan]-A(1OH)-B(2OH) | Coumestan | 7,10,12-Trihydroxycoumestan |
| 0.000 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Lucernol |
| 0.000 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Aureol |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1OMe) | Pterocarpan | Baphinitone |
| 0.000 | [Aurone]-A(2OH, 1Methyl)-B(1OH) | Aurone | 4,6,4'-Trihydroxy-7-methylaurone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Aurentiacin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Triangularin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Stercurensin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavanone | Comptonin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavanone | 7-O-Methylstrobopinin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavanone | 5-Hydroxy-7-methoxy-8-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(none) | Flavanone | 5,7-Dihydroxy-6,8-dimethylflavanone |
| 0.000 | [Flavone]-A(2OH, 1Methyl)-B(1OH) | Flavone | 6-Methylapigenin |
| 0.000 | [3-substituted Flavone (3-Methyl)]-A(2OH)-B(1OH) | 3-substituted Flavone | 3-C-Methylapigenin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 1Methyl) | Flavone | 5,7,4'-Trihydroxy-3'-C-methylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(none) | Flavonol | Galangin 3-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(none) | Flavonol | 8-C-Methylgalangin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin | Riccionidin A |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OH) | 3-DehydroxyAnthocyanidin | Carajuron |
| 0.000 | [Pterocarpan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Maackiain |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1OH) | Coumaranochromon | Lupinalbin A |
| 0.000 | [3-Phenylcoumarin]-A(1OH)-B(1OH, 1OMe) | 3-Phenylcoumarin | 7,2'-Dihydroxy-4'-methoxy-3-phenylcoumarin |
| 0.000 | [2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(1OH, 1OMe) | 2-Phenylbenzofuran | 2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran |
| 0.000 | [4-phenylcoumarin]-A(1OH)-B(1OH, 1OMe) | 4-phenylcoumarin | 7,3'-Dihydroxy-4'-methoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH) | 4-phenylcoumarin | Stevenin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH) | 4-phenylcoumarin | Melannin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(1OMe) | 4-phenylcoumarin | 5,7-Dihydroxy-4'-methoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH) | 4-phenylcoumarin | 5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OH)-B(2OH) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin |
| 0.000 | [Dalbergiquinol]-A(3OMe)-B(none) | Dalbergiquinol | 2,4,5-Trimethoxydalbergiquinol |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(2OMe)-B(none) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 3,4-Dimethoxydalbergione |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OMe) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4,4'-Dimethoxydalbergione |
| 0.000 | [Neoflavene]-A(1OH, 2OMe)-B(none) | Neoflavene | Kuhlmannene |