ピーク情報
ミヤコグサ
pos
|
Peak #2248 MN MID: SE205_S07_M90 |
m/z: 579.14955, RT: 34.80, 強度: 10262, ログ強度: 0.51, アダクト: [M+H]+, 共有数(同様のピークを含むサンプル数): 3 |
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: 0.222 |
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 | -0.260 | 2''-O-p-Coumaroylvitexin | FlavonoidViewer: FL3FAACS0034 HMDB: HMDB0037471 KNApSAcK: C00006301, C00054423 LipidMAPS: LMPK12110227 |
C30H26O12 | 578.14243 | -0.260 | Robinetidinol(4alpha-6)catechin | KNApSAcK: C00020668 |
C30H26O12 | 578.14243 | -0.260 | Apigenin 7-(6''-p-coumarylglucoside) | FlavonoidViewer: FL3FAAGS0036, FL3FAAGS0066 HMDB: HMDB0037347 KNApSAcK: C00004172, C00013616, C00038476 LipidMAPS: LMPK12110370, LMPK12110400 |
C30H26O12 | 578.14243 | -0.260 | Mesquitol-(4alpha->6)-mesquitol | KNApSAcK: C00009184 |
C30H26O12 | 578.14243 | -0.260 | Epimesquitol-(4beta->4)-epioritin-4beta-ol | KNApSAcK: C00013271 |
C30H26O12 | 578.14243 | -0.260 | Catechin-(6->6')-catechin | KNApSAcK: C00008912 |
C30H26O12 | 578.14243 | -0.260 | Pelargonidin 3-p-coumarylglucoside | FlavonoidViewer: [1]FL7AAAGL0017 HMDB: [1]HMDB0301883 KEGG: [1]C16368 KNApSAcK: [1]C00006756 LipidMAPS: [1]LMPK12010031 |
C30H26O12 | 578.14243 | -0.260 | Kaempferol 3-(6''-(Z)-cinnamylglucoside) | FlavonoidViewer: FL5FAAGL0066 KNApSAcK: C00005848 LipidMAPS: LMPK12111788 |
C30H26O12 | 578.14243 | -0.260 | 4-O-8',5'-5''-Dehydrotriferulic acid | HMDB: HMDB0029298 |
C30H26O12 | 578.14243 | -0.260 | Apigenin 7-O-beta-D-(6-O-p-coumaroyl)glucopyranoside | KNApSAcK: C00031603 |
C30H26O12 | 578.14243 | -0.260 | Apigenin 7-(3''-p-coumaroylglucoside) | FlavonoidViewer: FL3FAAGS0065 KNApSAcK: C00013615, C00038475 LipidMAPS: LMPK12110399 |
C30H26O12 | 578.14243 | -0.260 | Apigenin 7-glucoside-4'-p-coumarate | FlavonoidViewer: FL3FAAGN0001 KNApSAcK: C00004183 LipidMAPS: LMPK12110333 |
C30H26O12 | 578.14243 | -0.260 | Robinetinidol-(4beta->8)-catechin | KNApSAcK: C00009167, C00009168 |
C30H26O12 | 578.14243 | -0.260 | 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 | -0.260 | Mesquitol-(5->6)-mesquitol | KNApSAcK: C00008925 |
C30H26O12 | 578.14243 | -0.260 | Kaempferol 3-(2-(E)-p-coumarylrhamnoside) | FlavonoidViewer: FL5FAAGS0050, FL5FAAGS0103 KNApSAcK: C00005863, C00013770 LipidMAPS: LMPK12111886, LMPK12111938 |
C30H26O12 | 578.14243 | -0.260 | 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 | -0.260 | Luteolin 7-(6''-E-cinnamylglucoside) | FlavonoidViewer: FL3FACGS0061 KNApSAcK: C00004323 LipidMAPS: LMPK12110696 |
C30H26O12 | 578.14243 | -0.260 | Procyanidin B6 | HMDB: HMDB0038367, HMDB0038368, HMDB0038369 |
C30H26O12 | 578.14243 | -0.260 | Epicatechin-(6'->8)-epicatechin | HMDB: HMDB0032900 |
C30H26O12 | 578.14243 | -0.260 | Genistein 7-O-(2''-p-coumaroylglucoside) | FlavonoidViewer: FLIAAAGS0011 HMDB: HMDB0038741 KNApSAcK: C00010164 LipidMAPS: LMPK12050176 |
C30H26O12 | 578.14243 | -0.260 | Mesquitol-(5->8)-catechin | KNApSAcK: C00008923 |
C30H26O12 | 578.14243 | -0.260 | Procyanidin B5 | HMDB: HMDB0038366, HMDB0041239, HMDB0304727 KEGG: C17640 KNApSAcK: C00009070, C00009073, C00009074, C00009076, C00009079 |
C30H26O12 | 578.14243 | -0.260 | Mesquitol-(5->5)-mesquitol | KNApSAcK: C00008924 |
C30H26O12 | 578.14243 | -0.260 | Apigenin 7-(4''-Z-p-coumarylglucoside) | FlavonoidViewer: FL3FAAGS0034, FL3FAAGS0035 KNApSAcK: C00004170, C00004171 LipidMAPS: LMPK12110368, LMPK12110369 |
C30H26O12 | 578.14243 | -0.260 | Echitin | FlavonoidViewer: FL3FAAGS0064 KNApSAcK: C00013614 LipidMAPS: LMPK12110398 |
C30H26O12 | 578.14243 | -0.260 | pelargonidin 3-O-beta-D-p-coumaroylglucoside | HMDB: HMDB0304451 |
C30H26O12 | 578.14243 | -0.260 | Kaempferol 3-(4''-p-coumarylrhamnoside) | FlavonoidViewer: FL5FAAGS0051 KNApSAcK: C00005864 LipidMAPS: LMPK12111887 |
C30H26O12 | 578.14243 | -0.260 | Kaempferol 3-O-alpha-L-(3-trans-p-coumaroyl-rhamnopyranoside) | HMDB: HMDB0302571 |
C30H26O12 | 578.14243 | -0.260 | Mesquitol(4alpha->8)catechin | KNApSAcK: C00020687 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 579.14728 |
Splash: splash10-0kdi-0041910000-685db9cda4e69d1eeafa |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
427.09 | 2675 | 152 | 1000 |
409.18 | 1590 | 170 | 594 |
291.13 | 1187 | 288 | 443 |
453.12 | 933 | 126 | 348 |
417.12 | 642 | 162 | 240 |
301.06 | 622 | 278 | 232 |
247.03 | 556 | 332 | 207 |
561.12 | 475 | 18 | 177 |
289.08 | 339 | 290 | 126 |
303.15 | 333 | 276 | 124 |
271.04 | 327 | 308 | 122 |
560.23 | 251 | 19 | 93 |
411.24 | 250 | 168 | 93 |
435.25 | 248 | 144 | 92 |
275.00 | 196 | 304 | 73 |
255.06 | 196 | 324 | 73 |
532.97 | 191 | 46 | 71 |
259.06 | 167 | 320 | 62 |
439.07 | 159 | 140 | 59 |
426.42 | 150 | 153 | 56 |
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: 427.08728 |
Splash: splash10-0pb9-0087900000-143fec18dfd3399182c7 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
409.20 | 915 | 18 | 1000 |
301.10 | 799 | 126 | 873 |
275.02 | 450 | 152 | 492 |
283.13 | 146 | 144 | 159 |
287.04 | 122 | 140 | 132 |
247.11 | 111 | 180 | 121 |
138.95 | 72 | 288 | 78 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.100 | [Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl)) | Flavan 3-ol | Afzelechin 3-O-gallate |
0.000 | [Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Gallocatechin 3-O-p-hydroxybenzoate |
0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Dihydrochalcone | 2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone |
0.000 | [Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH) | Dihydrochalcone | 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone |
0.000 | [Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH) | Dihydrochalcone | 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone |
0.000 | [Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone beta-ol | Ponganone VIII |
0.000 | [Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none) | Flavanone | Tephrorin A |
0.000 | [Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH) | Flavanone | Kushenol T |
0.000 | [Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl)) | Flavanone | Propolin E |
0.000 | [Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavan | Broussoflavan A |
0.000 | [6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxyrotenone | Villosin |
0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Dalbinol |
0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Villosinol |
0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 11-Hydroxytephrosin |
Level: 3, プリカーサーm/z: 409.17651 |
Splash: splash10-052r-0090000000-6dc8f5b45467e6db0368 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
287.12 | 556 | 122 | 1000 |
259.12 | 307 | 150 | 551 |
299.10 | 138 | 110 | 247 |
257.01 | 114 | 152 | 205 |
245.06 | 87 | 164 | 155 |
283.18 | 84 | 126 | 150 |
391.24 | 82 | 18 | 147 |
271.04 | 55 | 138 | 98 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.158 | [Flavanone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Flavanone | Abyssinone V |
0.063 | [Dihydroflavonol]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | 3-Hydroxyglabrol |
0.048 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH) | Flavanone | 6,8-Diprenylnaringenin |
0.048 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavanone | Euchrestaflavanone A |
0.048 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavanone | Macarangaflavanone B |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol B |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Paratocarpin D |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Paratocarpin E |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Bartericin A |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Bartericin D |
0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Anthyllin |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | 2'-Hydroxychalcone | Bartericin C |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Bartericin B |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(2OH) | 2'-Hydroxychalcone | 3'-Geranyl-3,4,2',4'-tetrahydroxychalcone |
0.000 | [2'-Hydroxychalcone]-A(2OH)-B(2OH, 1Geranyl) | 2'-Hydroxychalcone | Kuwanol D |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1Lavandulyl)-B(2OH) | 2'-Hydroxychalcone | Ammothamnidin |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Cedrediprenone |
0.000 | [2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | 3'-Geranylchalconaringenin |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin A |
0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Dihydrochalcone | 4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone |
0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Dihydrochalcone | Methyllinderatin |
0.000 | [Flavanone]-A(1OH, 1Lavandulyl)-B(2OH) | Flavanone | Lehmannin |
0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(1OH) | Flavanone | Kushenol A |
0.000 | [Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(1OH) | Flavanone | Remangiflavanone A |
0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(1OH) | Flavanone | Bonannione A |
0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(1OH) | Flavanone | Sophoraflavanone A |
0.000 | [Flavanone]-A(2OH)-B(1OH, 1Geranyl) | Flavanone | Macarangaflavanone A |
0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(1OH) | Flavanone | Leachianone E |
0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Paratocarpin J |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Euchrenone a16 |
0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(1OH, 1OMe) | Flavone | Torosaflavone C |
0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(none) | Dihydroflavonol | 6-Geranylpinobanksin |
0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Formyl-2-hydroxyphenyl)) | Dihydroflavonol | 3'-(5''-formyl-2''-hydroxyphenyl)aromadendrin |
0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavonol | 3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone |
0.000 | [Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Flavonol | 8-p-Hydroxybenzylquercetin |
0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ferrugone |
0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ichthynone |
0.000 | [Isoflavone]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | 5-Methoxydurmillone |
0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Pterocarpan-6a-ol | 2-Prenyl-6a-hydroxyphaseollidin |
0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydroamorphigenin |
0.000 | [Dehydrorotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Villosol |
0.000 | [Dehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Dehydrorotenone | Dehydrotoxicarol |
0.000 | [6-Hydroxydehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxydehydrorotenone | Amorpholone |
0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Robustin methyl ether |
0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Isorobustin 4-methyl ether |
0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | 4-Hydroxy-3-phenylcoumarin | Glabrescin |
0.000 | [4-Hydroxy-3-phenylcoumarin]-A(2OMe, 1([2,3:@@]-(5-Isopropenylfurano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Thonningine B |
0.000 | [4-phenylcoumarin]-A(1OH, 1Isobutyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none) | 4-phenylcoumarin | 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |
0.000 | [4-phenylcoumarin]-A(1OH, 1Butyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none) | 4-phenylcoumarin | 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |