ピーク情報
|
イネ 葉 ニッポンバレ
pos
|
| Peak #2926 MN MID: SE199_S41_M90 |
| m/z: 449.10778, RT: 41.35, 強度: 1428, ログ強度: -0.44, 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: (77 names) Luteolin 5-glucoside;Scutellarein 7-glucoside;Isoscutellarein 7-glucoside;Maritimein;Petunidin 3-arabinoside;Distichin;Cernuoside;Aureusin;Carthamone;7,3',4',5'-Tetrahydroxyflavone 7-glucoside;Herbace... |
| DBごとのヒット数: ALL 68 KG 11 KN 50 HM 7 |
| FlavonoidSearch最大スコア MS2: 1.000, MS3: - |
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 |
|---|---|---|---|---|
| C21H20O11 | 448.10056 | -0.123 | Luteolin 5-glucoside | FlavonoidViewer: FL3FACGS0002, FL3FACGS0003 HMDB: HMDB0302805 KNApSAcK: C00004261, C00004262 LipidMAPS: LMPK12110637, LMPK12110638 |
| C21H20O11 | 448.10056 | -0.123 | Isoscutellarein 7-O-glucoside | FlavonoidViewer: FL3FFAGS0010 KNApSAcK: C00004287, C00035667 LipidMAPS: LMPK12111349 |
| C21H20O11 | 448.10056 | -0.123 | Plantaginin | FlavonoidViewer: FL3FEAGS0005 KEGG: C17056 KNApSAcK: C00004220 LipidMAPS: LMPK12111109 |
| C21H20O11 | 448.10056 | -0.123 | Maritimein | FlavonoidViewer: FL1A3CGS0001 KNApSAcK: C00008050 LipidMAPS: LMPK12130009 |
| C21H20O11 | 448.10056 | -0.123 | Petunidin 3-arabinoside | FlavonoidViewer: [1]FL7AAHGO0001 KNApSAcK: [1]C00006720, [1]C00030972 |
| C21H20O11 | 448.10056 | -0.123 | Distichin | FlavonoidViewer: FL5FADGS0002, FL5FADGS0003 KNApSAcK: C00005522, C00005523, C00053376 LipidMAPS: LMPK12110597, LMPK12110598 |
| C21H20O11 | 448.10056 | -0.123 | Cernuoside | FlavonoidViewer: FL1AACGS0001 KNApSAcK: C00008045 LipidMAPS: LMPK12130032 |
| C21H20O11 | 448.10056 | -0.123 | Aureusin | FlavonoidViewer: FL1AACGS0002 HMDB: HMDB0302156 KEGG: C16409 KNApSAcK: C00008046 LipidMAPS: LMPK12130033 |
| C21H20O11 | 448.10056 | -0.123 | Carthamone | FlavonoidViewer: FL1CQUGS0001 HMDB: HMDB0037377 KNApSAcK: C00002372 LipidMAPS: LMPK12120410 |
| C21H20O11 | 448.10056 | -0.123 | Carthamone | KEGG: C08598 |
| C21H20O11 | 448.10056 | -0.123 | 7,3',4',5'-Tetrahydroxyflavone 7-glucoside | FlavonoidViewer: FL3F1GGS0002 KNApSAcK: C00004256 LipidMAPS: LMPK12110050 |
| C21H20O11 | 448.10056 | -0.123 | Rhamnetin 3-alpha-L-arabinopyranoside | FlavonoidViewer: FL5FCCGS0002 KNApSAcK: C00005504 LipidMAPS: LMPK12112612 |
| C21H20O11 | 448.10056 | -0.123 | Herbacetin 8-rhamnoside | FlavonoidViewer: FL5FFAGS0007 KNApSAcK: C00005342 LipidMAPS: LMPK12113121 |
| C21H20O11 | 448.10056 | -0.123 | Luteolin 3'-beta-D-glucopyranoside | FlavonoidViewer: FL3FACGS0014 KNApSAcK: C00004273 LipidMAPS: LMPK12110649 |
| C21H20O11 | 448.10056 | -0.123 | Kaempferol 7-alloside | FlavonoidViewer: FL5FAAGS0012, FL5FAAGS0013, FL5FAAGS0014 HMDB: HMDB0244737, HMDB0303599 KNApSAcK: C00005147, C00005148, C00005149 LipidMAPS: LMPK12111849, LMPK12111850 |
| C21H20O11 | 448.10056 | -0.123 | Rhamnetin 3-alpha-L-arabinofuranoside | FlavonoidViewer: FL5FCCGS0001 KNApSAcK: C00005503 LipidMAPS: LMPK12112611 |
| C21H20O11 | 448.10056 | -0.123 | 6-C-Galactosylisoscutellarein | FlavonoidViewer: FL3FFACS0001 KNApSAcK: C00006103 LipidMAPS: LMPK12111337 |
| C21H20O11 | 448.10056 | -0.123 | Fisetin 7-glucoside | FlavonoidViewer: FL5F1CGS0001 KNApSAcK: C00005301 LipidMAPS: LMPK12111557 |
| C21H20O11 | 448.10056 | -0.123 | Fisetin 3-glucoside | FlavonoidViewer: FL5F1CGL0001 KNApSAcK: C00005300 LipidMAPS: LMPK12111555 |
| C21H20O11 | 448.10056 | -0.123 | Cimicifugic acid B | KNApSAcK: C00041434 |
| C21H20O11 | 448.10056 | -0.123 | 8-C-Methylquercetin 3-xyloside | FlavonoidViewer: FL5FACGM0001 KNApSAcK: C00005803 LipidMAPS: LMPK12112166 |
| C21H20O11 | 448.10056 | -0.123 | Rhodionin | FlavonoidViewer: FL5FFAGS0003 KNApSAcK: C00005338 LipidMAPS: LMPK12113117 |
| C21H20O11 | 448.10056 | -0.123 | Orientin | FlavonoidViewer: FL3FACCS0002, FL3FACCS0041 HMDB: HMDB0030614 KEGG: C10114 KNApSAcK: C00001078, C00006355 LipidMAPS: LMPK12110470, LMPK12110509 |
| C21H20O11 | 448.10056 | -0.123 | Hypolaetin 8-rhamnoside | FlavonoidViewer: FL3FFCGS0022 KNApSAcK: C00013699 LipidMAPS: LMPK12111390 |
| C21H20O11 | 448.10056 | -0.123 | Cyanidin 5-O-glucoside | KEGG: [1]C16298 |
| C21H20O11 | 448.10056 | -0.123 | 6-Hydroxyluteolin 6-rhamnoside | FlavonoidViewer: FL3FECGS0042 KNApSAcK: C00013687 LipidMAPS: LMPK12111215 |
| C21H20O11 | 448.10056 | -0.123 | Luteolin 4'-glucoside | FlavonoidViewer: FL3FACGS0017 HMDB: HMDB0038468 KNApSAcK: C00004276 LipidMAPS: LMPK12110652 |
| C21H20O11 | 448.10056 | -0.123 | 1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside | HMDB: HMDB0032903 |
| C21H20O11 | 448.10056 | -0.123 | Kaempferol 3-alpha-D-glucofuranoside | KNApSAcK: C00020683 |
| C21H20O11 | 448.10056 | -0.123 | 8-C-Glucosylorobol | FlavonoidViewer: FLIAACCS0001 KNApSAcK: C00006093 LipidMAPS: LMPK12050230 |
| C21H20O11 | 448.10056 | -0.123 | 6-Hydroxyluteolin 7-rhamnoside | FlavonoidViewer: FL3FECGS0009 HMDB: HMDB0303814 KNApSAcK: C00004384 LipidMAPS: LMPK12111182 |
| C21H20O11 | 448.10056 | -0.123 | Kaempferol 5-glucoside | FlavonoidViewer: FL5FAAGS0008 HMDB: HMDB0037572 KNApSAcK: C00005143 LipidMAPS: LMPK12111845 |
| C21H20O11 | 448.10056 | -0.123 | 5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside | FlavonoidViewer: FL3FA8GS0006 KNApSAcK: C00013651 LipidMAPS: LMPK12110122 |
| C21H20O11 | 448.10056 | -0.123 | Fisetin 8-C-glucoside | FlavonoidViewer: FL5F1CCS0001 KEGG: C10042 KNApSAcK: C00001039 LipidMAPS: LMPK12111554 |
| C21H20O11 | 448.10056 | -0.123 | 6-Hydroxypelargonidin 3-glucoside | FlavonoidViewer: [1]FL7AEAGL0002 KNApSAcK: [1]C00014845 LipidMAPS: [1]LMPK12010423 |
| C21H20O11 | 448.10056 | -0.123 | Cimicifugic acid A | KNApSAcK: C00041433 |
| C21H20O11 | 448.10056 | -0.123 | Scutellarein 6-glucoside | FlavonoidViewer: FL3FEAGS0003 KNApSAcK: C00004218, C00037796 LipidMAPS: LMPK12111107 |
| C21H20O11 | 448.10056 | -0.123 | 6-C-Glucopyranosylkaempferol | FlavonoidViewer: FL5FAACS0001 KNApSAcK: C00006090 LipidMAPS: LMPK12111660 |
| C21H20O11 | 448.10056 | -0.123 | Azaleatin 3-arabinoside | HMDB: HMDB0037359 |
| C21H20O11 | 448.10056 | -0.123 | naringenin-7-O-glucuronide | HMDB: HMDB0029209, HMDB0041761 |
| C21H20O11 | 448.10056 | -0.123 | Quercetin 7-rhamnoside | FlavonoidViewer: FL5FACGS0015 HMDB: HMDB0257019 KNApSAcK: C00005383 LipidMAPS: LMPK12112180 |
| C21H20O11 | 448.10056 | -0.123 | 2'-Hydroxygenistein 4'-O-glucoside | KNApSAcK: C00019700 |
| C21H20O11 | 448.10056 | -0.123 | 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside | FlavonoidViewer: FLNAACGS0001 KNApSAcK: C00010248 LipidMAPS: LMPK12100033 |
| C21H20O11 | 448.10056 | -0.123 | Cyanidin 4'-glucoside | FlavonoidViewer: [1]FL7AACGO0004 HMDB: [1]HMDB0037990 KNApSAcK: [1]C00006654 |
| C21H20O11 | 448.10056 | -0.123 | 5,7,2',4'-Tetrahydroxyisoflavone 8-C-glucoside | KNApSAcK: C00019447 |
| C21H20O11 | 448.10056 | -0.123 | Quercetin 3-methyl ether 3'-xyloside | FlavonoidViewer: FL5FDCGS0006 KNApSAcK: C00005494 LipidMAPS: LMPK12112705 |
| C21H20O11 | 448.10056 | -0.123 | Naringenin 4'-O-glucuronide | HMDB: HMDB0041759, HMDB0257722 |
| C21H20O11 | 448.10056 | -0.123 | Fisetin 4'-glucoside | FlavonoidViewer: FL5F1CGS0002 KNApSAcK: C00005302 LipidMAPS: LMPK12111558 |
| C21H20O11 | 448.10056 | -0.123 | Isoorientin | FlavonoidViewer: FL3FACCS0001, FL3FACCS0005 HMDB: HMDB0253666, HMDB0301981 KEGG: C01821 KNApSAcK: C00001055, C00006104 LipidMAPS: LMPK12110469, LMPK12110473 |
| C21H20O11 | 448.10056 | -0.123 | cyanidin 5-O-beta-D-glucoside | HMDB: [-1]HMDB0304305 |
| C21H20O11 | 448.10056 | -0.123 | Trifolin | FlavonoidViewer: FL5FAAGA0001, FL5FAAGA0002, FL5FAAGL0001, FL5FAAGL0002, FL5FAAGS0004 HMDB: HMDB0030864, HMDB0037429, HMDB0257804, HMDB0302704, HMDB0304745 KEGG: C12249, C12626 KNApSAcK: C00005135, C00005136, C00005137, C00005138, C00005139 LipidMAPS: LMPK12111662, LMPK12111663, LMPK12111725, LMPK12111726 |
| C21H20O11 | 448.10056 | -0.123 | Cyanidin 7-glucoside | HMDB: [1]HMDB0037978 |
| C21H20O11 | 448.10056 | -0.123 | Luteolin 7-glucoside | FlavonoidViewer: FL3FACGS0007, FL3FACGS0008 HMDB: HMDB0035588, HMDB0038467 KEGG: C03951 KNApSAcK: C00004266, C00004267 LipidMAPS: LMPK12110643, LMPK12113403 |
| C21H20O11 | 448.10056 | -0.123 | Asphodelin A 4'-O-beta-D-glucoside | KNApSAcK: C00038521 |
| C21H20O11 | 448.10056 | -0.123 | 6-Hydroxyluteolin 5-rhamnoside | FlavonoidViewer: FL3FECGS0004 KNApSAcK: C00004379 LipidMAPS: LMPK12111177 |
| C21H20O11 | 448.10056 | -0.123 | 8-C-beta-D-Glucopyranosylkaempferol | FlavonoidViewer: FL5FAACS0002 KNApSAcK: C00014021 LipidMAPS: LMPK12111661 |
| C21H20O11 | 448.10056 | -0.123 | Delphinidin 3-rhamnoside | FlavonoidViewer: [1]FL7AAGGO0002 HMDB: [1]HMDB0303800 KNApSAcK: [1]C00006699 |
| C21H20O11 | 448.10056 | -0.123 | Orobol 7-O-glucoside | FlavonoidViewer: FLIAACGS0001 KNApSAcK: C00010119 LipidMAPS: LMPK12050235 |
| C21H20O11 | 448.10056 | -0.123 | Cyanidin 3-O-glucoside | FlavonoidViewer: [1]FL7AACGA0001, [1]FL7AACGL0001 HMDB: [1]HMDB0030684, [1]HMDB0037977, [1]HMDB0303037, HMDB0304307, [1]HMDB0304661 KEGG: [1]C08604, [1]C08647 KNApSAcK: [1]C00002374, [1]C00006652, [1]C00053092 LipidMAPS: [1]LMPK12010095, [1]LMPK12010110 |
| C21H20O11 | 448.10056 | -0.123 | Dihydrobaicalein 7-O-glucuronide | FlavonoidViewer: FL2FE9GS0001 KNApSAcK: C00008147 LipidMAPS: LMPK12140605 |
| C21H20O11 | 448.10056 | -0.123 | Dihydronorwogonin 7-O-glucuronide | FlavonoidViewer: FL2FF9GS0001 KNApSAcK: C00008152 LipidMAPS: LMPK12140650 |
| C21H20O11 | 448.10056 | -0.123 | Maritimetin 7-glucoside | FlavonoidViewer: FL1A3CGS0006 KNApSAcK: C00008055 LipidMAPS: LMPK12130014 |
| C21H20O11 | 448.10056 | -0.123 | 2'-Hydroxygenistein 7-O-glucoside | KNApSAcK: C00019699 |
| C21H20O11 | 448.10056 | -0.123 | Quercitrin | FlavonoidViewer: FL5FACGS0006 HMDB: HMDB0033751, HMDB0257017 KEGG: C01750 KNApSAcK: C00005374, C00029617 LipidMAPS: LMPK12112171 |
| C21H20O11 | 448.10056 | -0.123 | Isorhamnetin 3-alpha-L-arabinofuranoside | FlavonoidViewer: FL5FADGS0001 KNApSAcK: C00005521 LipidMAPS: LMPK12110596 |
| C21H20O11 | 448.10056 | -0.123 | Naringenin 5-O-glucuronide | HMDB: HMDB0041760, HMDB0257724 |
| C21H20O11 | 448.10056 | -0.123 | Kaempferol 4'-glucoside | FlavonoidViewer: FL5FAAGS0017 KNApSAcK: C00005152 LipidMAPS: LMPK12111853 |
| C21H20O11 | 448.10056 | -0.123 | Datiscanin | FlavonoidViewer: FL5FA8GL0001 KNApSAcK: C00005130 LipidMAPS: LMPK12111619 |
| C21H20O11 | 448.10056 | -0.123 | 6-C-Glucosylorobol | FlavonoidViewer: FLIAACCS0002 KNApSAcK: C00006119 LipidMAPS: LMPK12050231 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 449.10782 |
| Splash: splash10-001i-0008900000-41eb08b5ed2ebddc0408 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 431.23 | 123982 | 18 | 1000 |
| 383.09 | 61497 | 66 | 496 |
| 353.11 | 29296 | 96 | 236 |
| 329.18 | 28043 | 120 | 226 |
| 413.18 | 24431 | 36 | 197 |
| 395.12 | 17069 | 54 | 137 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 1.000 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Isoorientin |
| 1.000 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Orientin |
| 1.000 | [Flavonol]-A(1OH, 1(C-Glu))-B(2OH) | Flavonol | Fisetin 8-C-glucoside |
| 1.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 6-C-Glucopyranosylkaempferol |
| 1.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-beta-D-Glucopyranosylkaempferol |
| 1.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 6-C-Glucosylorobol |
| 1.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-C-Glucosylorobol |
| 1.000 | [Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH) | Anthocyanidin | 8-C-Glucosylcyanidin |
| 0.063 | [Chalcone]-A(4OMe)-B(4OMe) | Chalcone | 2,3,4,5,2',3',4',6'-Octamethoxychalcone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 3OMe) | Flavone | Agehoustin C |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 6-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 8-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Galactosylisoscutellarein |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartomunin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artomunoxanthone |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artonol E |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartomunoxanthone |
| 0.000 | [UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone | Artonin P |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe) | Flavonol | 3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpenin |