ピーク情報
イヌカタヒバ
pos
|
Peak #4588 MN MID: SE205_S02_M90 |
m/z: 403.13867, RT: 44.27, 強度: 138995, ログ強度: 1.62, 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: (44 names) 2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one;3'-(beta-D-Glucopyranosyl)-2'-hydroxy-beta-oxodihydrochalcone;5,6,2',3',5',6'-Hexamethoxyflavone;Entonaemin B;5,6,8,3',4',5'-Hexameth... |
DBごとのヒット数: ALL 37 KG 6 KN 30 HM 1 |
FlavonoidSearch最大スコア MS2: 0.100, MS3: 0.105 |
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 |
---|---|---|---|---|
C21H22O8 | 402.13147 | -0.173 | 2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one | KEGG: C14944 |
C21H22O8 | 402.13147 | -0.173 | 3'-(beta-D-Glucopyranosyl)-2'-hydroxy-beta-oxodihydrochalcone | KEGG: C22067 |
C21H22O8 | 402.13147 | -0.173 | 5,6,2',3',5',6'-Hexamethoxyflavone | FlavonoidViewer: FL3F98NS0016 KNApSAcK: C00013342 LipidMAPS: LMPK12110095 |
C21H22O8 | 402.13147 | -0.173 | 5,6,8,3',4',5'-Hexamethoxyflavone | FlavonoidViewer: FL3F9GNS0002 KNApSAcK: C00003951 LipidMAPS: LMPK12110111 |
C21H22O8 | 402.13147 | -0.173 | Entonaemin B | KNApSAcK: C00053012 |
C21H22O8 | 402.13147 | -0.173 | Brevipolide C | KNApSAcK: C00047405, C00047406 |
C21H22O8 | 402.13147 | -0.173 | 2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one | KEGG: C14943 |
C21H22O8 | 402.13147 | -0.173 | Nobiletin | FlavonoidViewer: FL3FGCNS0001 HMDB: HMDB0029540 KEGG: C10112 KNApSAcK: C00001076 LipidMAPS: LMPK12111468 |
C21H22O8 | 402.13147 | -0.173 | Paraibanol | FlavonoidViewer: FL4DE8NI0001 KNApSAcK: C00014382 |
C21H22O8 | 402.13147 | -0.173 | 3,5,7,2',4',5'-Hexamethoxyflavone | FlavonoidViewer: FL5FALNS0017 KNApSAcK: C00004758 LipidMAPS: LMPK12112532 |
C21H22O8 | 402.13147 | -0.173 | 9beta-Acetoxyatripliciolide-8-O-methacrylate | KNApSAcK: C00023261 |
C21H22O8 | 402.13147 | -0.173 | 7-Hydroxyflavanone beta-D-glucopyranoside | FlavonoidViewer: FL2F19GS0001 KEGG: C04007 KNApSAcK: C00014303 LipidMAPS: LMPK12140006 |
C21H22O8 | 402.13147 | -0.173 | 5,6,2',3',4',6'-Hexamethoxyflavone | FlavonoidViewer: FL3F9LNS0001 KNApSAcK: C00003963 LipidMAPS: LMPK12110114 |
C21H22O8 | 402.13147 | -0.173 | Secundiflorol A | KNApSAcK: C00018917 |
C21H22O8 | 402.13147 | -0.173 | Quercetagetin hexamethyl ether | FlavonoidViewer: FL5FECNS0037 HMDB: HMDB0029308 KNApSAcK: C00004713 LipidMAPS: LMPK12113018 |
C21H22O8 | 402.13147 | -0.173 | 5,6,7,3',4',5'-Hexamethoxyflavone | FlavonoidViewer: FL3FEGNS0012 KNApSAcK: C00004082 LipidMAPS: LMPK12111278 |
C21H22O8 | 402.13147 | -0.173 | 3,3',4',5,6,8-Hexamethoxyflavone | HMDB: HMDB0035415 |
C21H22O8 | 402.13147 | -0.173 | Piscerythrone hydrate | KNApSAcK: C00019604 |
C21H22O8 | 402.13147 | -0.173 | Myricetin hexamethyl ether | FlavonoidViewer: FL5FDKNS0005 KNApSAcK: C00004778 LipidMAPS: LMPK12112795 |
C21H22O8 | 402.13147 | -0.173 | (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin | KEGG: C09262 KNApSAcK: C00002470, C00031899 |
C21H22O8 | 402.13147 | -0.173 | Entonaemin A | KNApSAcK: C00044743 |
C21H22O8 | 402.13147 | -0.173 | 4,2'-Dihydroxychalcone 4-glucoside | FlavonoidViewer: FL1C9AGS0001 KNApSAcK: C00007183 LipidMAPS: LMPK12120190 |
C21H22O8 | 402.13147 | -0.173 | 2,7-Dihydroxy-4-methoxyphenanthrene 2-O-glucoside | KNApSAcK: C00015894 |
C21H22O8 | 402.13147 | -0.173 | Descurainolide B | KNApSAcK: C00031733 |
C21H22O8 | 402.13147 | -0.173 | 6,7,8,3',4',5'-Hexamethoxyisoflavone | KNApSAcK: C00019493 |
C21H22O8 | 402.13147 | -0.173 | Bafoudiosbulbin D | KNApSAcK: C00033661, C00055373 |
C21H22O8 | 402.13147 | -0.173 | Gossypetin hexamethyl ether | FlavonoidViewer: FL5FFCNS0025 HMDB: HMDB0037755 KNApSAcK: C00004745 LipidMAPS: LMPK12113255 |
C21H22O8 | 402.13147 | -0.173 | Bannamurpanisin | FlavonoidViewer: FL3FFGNS0006 KNApSAcK: C00003962 LipidMAPS: LMPK12111416 |
C21H22O8 | 402.13147 | -0.173 | Rubiginosin B | KNApSAcK: C00045051 |
C21H22O8 | 402.13147 | -0.173 | 11-Deoxyaloin | HMDB: HMDB0039379 KNApSAcK: C00054567 |
C21H22O8 | 402.13147 | -0.173 | 3,5,6,7,8,4'-Hexamethoxyflavone | FlavonoidViewer: FL5FGANS0009 KNApSAcK: C00004674 LipidMAPS: LMPK12113315 |
C21H22O8 | 402.13147 | -0.173 | Pinocembrin 7-O-rhamnoside | FlavonoidViewer: FL2FA9GS0003 KNApSAcK: C00008138 LipidMAPS: LMPK12140138 |
C21H22O8 | 402.13147 | -0.173 | Pinophilin B | KNApSAcK: C00053688 |
C21H27ON2Br | 402.13067 | 1.799 | Flustramide A | KNApSAcK: C00027024 |
C21H27ON2Br | 402.13067 | 1.799 | Flustramide B | KNApSAcK: C00027025 |
C22H18O4N4 | 402.13281 | -3.499 | Tryptoquivaline F | KNApSAcK: C00023559, C00023563 |
C22H18O4N4 | 402.13281 | -3.499 | Chaetominine | KNApSAcK: C00051924, C00053353 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 403.13849 |
Splash: splash10-0079-0109000000-1add69f9fdb8a206c943 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
385.15 | 8684 | 18 | 1000 |
373.17 | 6738 | 30 | 775 |
166.98 | 2143 | 236 | 246 |
372.54 | 486 | 31 | 55 |
355.25 | 442 | 48 | 50 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.100 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',5',6'-Hexamethoxyflavone |
0.100 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,8,3',4',5'-Hexamethoxyflavone |
0.100 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',4',6'-Hexamethoxyflavone |
0.100 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,7,3',4',5'-Hexamethoxyflavone |
0.100 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | Bannamurpanisin |
0.100 | [Flavone]-A(4OMe)-B(2OMe) | Flavone | Nobiletin |
0.063 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | Paraibanol |
0.059 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone B |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | 2'-Hydroxychalcone | 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
0.000 | [CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe) | CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone | Antiarone K |
0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none) | Flavanone | Calomelanol I |
0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | Flavanone | Calomelanol H |
0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH) | Flavone | Cerarvensin |
0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomollupentin |
0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Mollupentin |
0.000 | [Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone |
0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl)) | Dihydroflavonol | Pinobanksin 3-O-cinnamate |
0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | Myricetin hexamethyl ether |
0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | 3,5,7,2',4',5'-Hexamethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Quercetagetin hexamethyl ether |
0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Gossypetin hexamethyl ether |
0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OMe) | Flavonol | 3,5,6,7,8,4'-Hexamethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Demethylmelibentin |
0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one |
0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl)) | Pterocarpan-6a-ol | Sphenostylin D |
0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Inophyllum E |
0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Tomentolide A |
Level: 3, プリカーサーm/z: 385.14682 |
Splash: splash10-014i-0229000000-9b6c4a9b1885f556c18d |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
367.15 | 22137 | 18 | 1000 |
353.14 | 6643 | 32 | 300 |
231.06 | 4602 | 154 | 207 |
166.98 | 4495 | 218 | 203 |
191.11 | 4123 | 194 | 186 |
213.05 | 3852 | 172 | 174 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.105 | [Flavanone]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Flavanone | 5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone |
0.077 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscerythrone |
0.077 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscidone |
0.077 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Dihydroflavonol | Eriotrinol |
0.077 | [Dihydroflavonol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Dihydroflavonol | 3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone |
0.042 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Gancaonin P 3'-methyl ether |
0.042 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 8-Prenylquercetin 4'-methyl ether |
0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Oxyisocyclointegrin |
0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | Uralene |
0.000 | [Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone |
0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4,6,6-Dimethyldihydropyrano)))-B(2OH) | Flavonol | 4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone |
0.000 | [Isoflavone]-A(2OH, Hydroxyprenyl)-B(1OH, 1OMe) | Isoflavone | Gancaonin D |
0.000 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavanone | Echinoisosophoranone |
0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone-3-ol | Sophoronol |
0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Coumestan | Mirificoumestan hydrate |
0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6-Hydroxymethyl-6-methyldihydropyrano)))-B(2OH) | 3-Phenylcoumarin | Licopyranocoumarin |
Level: 3, プリカーサーm/z: 373.17258 |
Splash: splash10-0a4i-0009000000-961d70cf1132415938e3 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
355.17 | 5460 | 18 | 1000 |
341.27 | 573 | 32 | 104 |
337.22 | 371 | 36 | 67 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.095 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,3',4',5'-Pentamethoxyisoflavone |
0.095 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',3',4'-Pentamethoxyisoflavone |
0.095 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',4',5'-Pentamethoxyisoflavone |
0.095 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | Robustigenin methyl ether |
0.071 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | 6-Prenyltaxifolin |
0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Prosogerin C |
0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 7,8,3',4',5'-Pentamethoxyflavone |
0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,6,2',3',6'-Pentamethoxyflavone |
0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Cerosilin B |
0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,6,2',3',4'-Pentamethoxyflavone |
0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Tricetin 5,7,3',4',5'-pentamethyl ether |
0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,7,2',3',4'-Pentamethoxyflavone |
0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,7,2',4',6'-Pentamethoxyflavone |
0.000 | [Flavone]-A(3OMe)-B(2OMe) | Flavone | Sinensetin |
0.000 | [Flavone]-A(3OMe)-B(2OMe) | Flavone | Isosinensetin |
0.000 | [Flavone]-A(4OMe)-B(1OMe) | Flavone | Tangeretin |
0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano))) | 2'-Hydroxychalcone | Lophirone E |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(1([@@]-Methylenedioxy))-B(3OMe) | beta-Hydroxy(or Oxodihydro)chalcone | 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone |
0.000 | [Flavanone]-A(1OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano))) | Flavanone | 7-Hydroxy-(5-(p-Hydroxyphenyl)furano)[2,3:4',3'])flavanone |
0.000 | [Flavanone]-A(2OH, 1((E)-4-Hydroxyprenyl))-B(2OH) | Flavanone | Licoleafol |
0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Sigmoidin D |
0.000 | [3-substituted Flavone (3-(3-Methylbutyl))]-A(2OH)-B(3OH) | 3-substituted Flavone | Asplenetin |
0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OMe) | Flavonol | Auranetin |
0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(2OMe) | Flavonol | 3,5,7,2',6'-Pentamethoxyflavone |
0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | 6-(3-hydroxy-3-methylbutyl)kaempferol |
0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | Noricaritin |
0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(2OMe) | Flavonol | Quercetin pentamethyl ether |
0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(2OMe) | Flavonol | 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one |
0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone |
0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melisimplin |
0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OMe) | Flavonol | Herbacetin pentamethyl ether |
0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone |
0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone |
0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(none) | Flavonol | 3,5,6,7,8-Pentamethoxyflavone |
0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 3,4,7,4'-Tetrahydroxy-5-methoxy-8-prenylflavan |
0.000 | [Isoflavone]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitone hydrate |
0.000 | [Isoflavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavanone | Kievitol |
0.000 | [6-Hydroxydehydrorotenone]-A(3OH)-B(1OH)-C(1(O-Acetyl)) | 6-Hydroxydehydrorotenone | 3,6,9,10,11-Pentahydroxydehydrorotenone 6-O-acetate |
0.000 | [6-Hydroxydehydrorotenone]-A(1OH, 1OMe)-B(2OMe) | 6-Hydroxydehydrorotenone | Stemonal |