ピーク情報
|
はつか大根 根
pos
|
| Peak #5220 MN MID: SE202_S11_M90 |
| m/z: 579.15001, RT: 45.33, 強度: 112907, ログ強度: 1.61, 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: (36 names) 2''-O-p-Coumaroylvitexin;Robinetidinol(4alpha-6)catechin;[4,6''-Biflavan]-3,3',3'',3''',4',4''',5',5'',7,7''-decol;Terniflorin;Mesquitol-(4alpha->6)-mesquitol;Catechin-(6->6')-catechin;Epimesquitol-(4... |
| DBごとのヒット数: ALL 30 KG 3 KN 22 HM 5 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.500 |
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 |
|---|---|---|---|---|
| C30H26O12 | 578.14243 | 0.526 | 2''-O-p-Coumaroylvitexin | FlavonoidViewer: FL3FAACS0034 HMDB: HMDB0037471 KNApSAcK: C00006301, C00054423 LipidMAPS: LMPK12110227 |
| C30H26O12 | 578.14243 | 0.526 | Robinetidinol(4alpha-6)catechin | KNApSAcK: C00020668 |
| C30H26O12 | 578.14243 | 0.526 | Apigenin 7-(6''-p-coumarylglucoside) | FlavonoidViewer: FL3FAAGS0036, FL3FAAGS0066 HMDB: HMDB0037347 KNApSAcK: C00004172, C00013616, C00038476 LipidMAPS: LMPK12110370, LMPK12110400 |
| C30H26O12 | 578.14243 | 0.526 | Mesquitol-(4alpha->6)-mesquitol | KNApSAcK: C00009184 |
| C30H26O12 | 578.14243 | 0.526 | Epimesquitol-(4beta->4)-epioritin-4beta-ol | KNApSAcK: C00013271 |
| C30H26O12 | 578.14243 | 0.526 | Catechin-(6->6')-catechin | KNApSAcK: C00008912 |
| C30H26O12 | 578.14243 | 0.526 | Pelargonidin 3-p-coumarylglucoside | FlavonoidViewer: [1]FL7AAAGL0017 HMDB: [1]HMDB0301883 KEGG: [1]C16368 KNApSAcK: [1]C00006756 LipidMAPS: [1]LMPK12010031 |
| C30H26O12 | 578.14243 | 0.526 | Kaempferol 3-(6''-(Z)-cinnamylglucoside) | FlavonoidViewer: FL5FAAGL0066 KNApSAcK: C00005848 LipidMAPS: LMPK12111788 |
| C30H26O12 | 578.14243 | 0.526 | 4-O-8',5'-5''-Dehydrotriferulic acid | HMDB: HMDB0029298 |
| C30H26O12 | 578.14243 | 0.526 | Apigenin 7-O-beta-D-(6-O-p-coumaroyl)glucopyranoside | KNApSAcK: C00031603 |
| C30H26O12 | 578.14243 | 0.526 | Apigenin 7-(3''-p-coumaroylglucoside) | FlavonoidViewer: FL3FAAGS0065 KNApSAcK: C00013615, C00038475 LipidMAPS: LMPK12110399 |
| C30H26O12 | 578.14243 | 0.526 | Apigenin 7-glucoside-4'-p-coumarate | FlavonoidViewer: FL3FAAGN0001 KNApSAcK: C00004183 LipidMAPS: LMPK12110333 |
| C30H26O12 | 578.14243 | 0.526 | Robinetinidol-(4beta->8)-catechin | KNApSAcK: C00009167, C00009168 |
| C30H26O12 | 578.14243 | 0.526 | Procyanidin B2 | HMDB: HMDB0013690, HMDB0029754, HMDB0033973, HMDB0033974, HMDB0037968 KEGG: C17639, C10238, C10221 KNApSAcK: C00002917, C00002935, C00009071, C00009072, C00009075, C00009077, C00009078, C00009080 LipidMAPS: LMPK12030001, LMPK12030002, LMPK12030003, LMPK12030004 |
| C30H26O12 | 578.14243 | 0.526 | Mesquitol-(5->6)-mesquitol | KNApSAcK: C00008925 |
| C30H26O12 | 578.14243 | 0.526 | Kaempferol 3-(2-(E)-p-coumarylrhamnoside) | FlavonoidViewer: FL5FAAGS0050, FL5FAAGS0103 KNApSAcK: C00005863, C00013770 LipidMAPS: LMPK12111886, LMPK12111938 |
| C30H26O12 | 578.14243 | 0.526 | 8,9-Dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(3,4,5-trihydroxyphenyl)-10H-pyrano[2,3-h]catechin | KNApSAcK: C00008953 |
| C30H26O12 | 578.14243 | 0.526 | Luteolin 7-(6''-E-cinnamylglucoside) | FlavonoidViewer: FL3FACGS0061 KNApSAcK: C00004323 LipidMAPS: LMPK12110696 |
| C30H26O12 | 578.14243 | 0.526 | Procyanidin B6 | HMDB: HMDB0038367, HMDB0038368, HMDB0038369 |
| C30H26O12 | 578.14243 | 0.526 | Epicatechin-(6'->8)-epicatechin | HMDB: HMDB0032900 |
| C30H26O12 | 578.14243 | 0.526 | Genistein 7-O-(2''-p-coumaroylglucoside) | FlavonoidViewer: FLIAAAGS0011 HMDB: HMDB0038741 KNApSAcK: C00010164 LipidMAPS: LMPK12050176 |
| C30H26O12 | 578.14243 | 0.526 | Mesquitol-(5->8)-catechin | KNApSAcK: C00008923 |
| C30H26O12 | 578.14243 | 0.526 | Procyanidin B5 | HMDB: HMDB0038366, HMDB0041239, HMDB0304727 KEGG: C17640 KNApSAcK: C00009070, C00009073, C00009074, C00009076, C00009079 |
| C30H26O12 | 578.14243 | 0.526 | Mesquitol-(5->5)-mesquitol | KNApSAcK: C00008924 |
| C30H26O12 | 578.14243 | 0.526 | Apigenin 7-(4''-Z-p-coumarylglucoside) | FlavonoidViewer: FL3FAAGS0034, FL3FAAGS0035 KNApSAcK: C00004170, C00004171 LipidMAPS: LMPK12110368, LMPK12110369 |
| C30H26O12 | 578.14243 | 0.526 | Echitin | FlavonoidViewer: FL3FAAGS0064 KNApSAcK: C00013614 LipidMAPS: LMPK12110398 |
| C30H26O12 | 578.14243 | 0.526 | pelargonidin 3-O-beta-D-p-coumaroylglucoside | HMDB: HMDB0304451 |
| C30H26O12 | 578.14243 | 0.526 | Kaempferol 3-(4''-p-coumarylrhamnoside) | FlavonoidViewer: FL5FAAGS0051 KNApSAcK: C00005864 LipidMAPS: LMPK12111887 |
| C30H26O12 | 578.14243 | 0.526 | Kaempferol 3-O-alpha-L-(3-trans-p-coumaroyl-rhamnopyranoside) | HMDB: HMDB0302571 |
| C30H26O12 | 578.14243 | 0.526 | Mesquitol(4alpha->8)catechin | KNApSAcK: C00020687 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 579.14911 |
| Splash: splash10-00di-0090000000-5e6c72d63307c7dbfa0d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.07 | 139015 | 308 | 1000 |
| 272.10 | 19134 | 307 | 137 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1(O-p-Coumaroyl)-C-Glu))-B(1OH) | Flavone | Vitexin 2''-O-p-coumarate |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | 6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH) | Flavone | Violanthin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH) | Flavone | Isoviolanthin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Chinovosyl))-B(1OH) | Flavone | Violarvensin |
| 0.000 | [Flavone]-A(2OH, 2(C-Rhamnosyl))-B(2OH) | Flavone | 6,8-Di-C-rhamnopyranosylluteolin |
| Level: 3, プリカーサーm/z: 271.06580 |
| Splash: splash10-00di-0290000000-91cc3eac215e4aa34176 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.09 | 3080 | -0 | 1000 |
| 197.07 | 421 | 74 | 136 |
| 243.05 | 337 | 28 | 109 |
| 225.11 | 330 | 46 | 107 |
| 215.12 | 306 | 56 | 99 |
| 120.88 | 305 | 150 | 98 |
| 173.03 | 298 | 98 | 96 |
| 272.11 | 280 | -1 | 90 |
| 187.07 | 246 | 84 | 79 |
| 253.19 | 218 | 18 | 70 |
| 226.00 | 155 | 45 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.500 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.474 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.400 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.400 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.400 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.375 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.375 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.375 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.375 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.375 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.375 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.375 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.350 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.313 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.313 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.313 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.313 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.267 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.235 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.235 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.188 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.188 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.188 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.188 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.188 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.188 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.188 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.167 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.167 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.167 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.167 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.167 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.067 | [Pterocarpan]-A(1OH)-B(1OMe) | Pterocarpan | Medicarpin |
| 0.067 | [Pterocarpan]-A(1OMe)-B(1OH) | Pterocarpan | Isomedicarpin |
| 0.000 | [Aurone]-A(1OH)-B(2OH) | Aurone | Sulfuretin |
| 0.000 | [Aurone]-A(2OH)-B(1OH) | Aurone | 4,6,4'-Trihydroxyaurone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(1OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Methyllucidone |
| 0.000 | [UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone]-A(3Methyl)-B(none) | UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone | 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Strobopinin |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Cryptostrobin |
| 0.000 | [Flavan]-A(1OMe, 1Methyl)-B(1OH) | Flavan | 4'-Hydroxy-7-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Flavan | 7-Hydroxy-3',4'-methylenedioxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(none) | Flavan | Tephrowatsin E |
| 0.000 | [Flavan]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavan | 7-Hydroxy-5-methoxy-6-methylflavan |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(2OH) | 3-DehydroxyAnthocyanidin | Luteolinidin |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1OMe) | isoflavene | Haginin B |
| 0.000 | [2-Phenylbenzofuran]-A(1OMe)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Vignafuran |
| 0.000 | [2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH) | 2-Phenylbenzofuran | 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(none) | Dalbergiquinol | 5-Hydroxy-2,4-dimethoxydalbergiquinol |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4'-Hydroxy-4-methoxydalbergione |