ピーク情報
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（かんきつ類） すだち 果皮 生
pos
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| Peak #7146 MN MID: SE120_S070781_M90 |
| m/z: 411.21678, RT: 76.85, 強度: 5404, ログ強度: 0.23, 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: (24 names) Rhinacanthin C;AC-5-1;3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone;Ircinin 2;Heliocide H2;4-Hydroxy-5-methyl-3-[8'-oxo-9'-hydroxyfarnesyl]-coumarin;Lespecyrtin E6;(-)-Lespecyrtin E6;Gypoth... |
| DBごとのヒット数: ALL 22 KG 1 KN 18 HM 3 |
| FlavonoidSearch最大スコア MS2: 0.043, MS3: 0.086 |
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 |
|---|---|---|---|---|
| C25H30O5 | 410.20932 | 0.429 | Rhinacanthin C | HMDB: HMDB0257196 |
| C25H30O5 | 410.20932 | 0.429 | 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone | FlavonoidViewer: FL1D1CNI0001 HMDB: HMDB0032005 KNApSAcK: C00008018, C00055004 LipidMAPS: LMPK12120455 |
| C25H30O5 | 410.20932 | 0.429 | 3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone | FlavonoidViewer: FL1DQUNI0001 KNApSAcK: C00007983 LipidMAPS: LMPK12120591 |
| C25H30O5 | 410.20932 | 0.429 | Heliocide H2 | HMDB: HMDB0036833 |
| C25H30O5 | 410.20932 | 0.429 | Ircinin 2 | KNApSAcK: C00046033, C00046381 |
| C25H30O5 | 410.20932 | 0.429 | 4-Hydroxy-5-methyl-3-[8'-oxo-9'-hydroxyfarnesyl]-coumarin | KNApSAcK: C00019924 |
| C25H30O5 | 410.20932 | 0.429 | Lespecyrtin E6 | KNApSAcK: C00047278 |
| C25H30O5 | 410.20932 | 0.429 | Gypothamniol | KNApSAcK: C00022607 |
| C25H30O5 | 410.20932 | 0.429 | Kanzonol Y | FlavonoidViewer: FL1DHXNI0001 HMDB: HMDB0031361 KNApSAcK: C00014617 LipidMAPS: LMPK12120571 |
| C25H30O5 | 410.20932 | 0.429 | Rhinacanthin C | KNApSAcK: C00041095 |
| C25H30O5 | 410.20932 | 0.429 | 5alpha'-Hydroxy-6',7'-epoxytriptiliocoumarin | KNApSAcK: C00019899 |
| C25H30O5 | 410.20932 | 0.429 | Xanthoangelol J | KNApSAcK: C00041964 |
| C25H30O5 | 410.20932 | 0.429 | Vismione D | KEGG: C09977 KNApSAcK: C00003022 |
| C25H30O5 | 410.20932 | 0.429 | 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone | FlavonoidViewer: FL1DAANI0001 KNApSAcK: C00008009 LipidMAPS: LMPK12120522 |
| C25H30O5 | 410.20932 | 0.429 | Heliocide H3 | HMDB: HMDB0030741 |
| C25H30O5 | 410.20932 | 0.429 | Adenaflorin A | KNApSAcK: C00043244 |
| C25H30O5 | 410.20932 | 0.429 | Ircinin 1 | KNApSAcK: C00046032 |
| C25H30O5 | 410.20932 | 0.429 | Bipinnatone B | KNApSAcK: C00038603 |
| C25H30O5 | 410.20932 | 0.429 | Heliocide H4 | HMDB: HMDB0035298 KNApSAcK: C00000500 |
| C25H30O5 | 410.20932 | 0.429 | Isolycoserone | KNApSAcK: C00019935 |
| C25H30O5 | 410.20932 | 0.429 | Heliocide H1 | HMDB: HMDB0035297 KNApSAcK: C00000499 |
| C25H30O5 | 410.20932 | 0.429 | 1',2',6',7',8'-Epicyclolycoserone | KNApSAcK: C00019861 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 411.21631 |
| Splash: splash10-0006-0009000000-3eec4c1af899218afb9b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 393.23 | 2688 | 18 | 1000 |
| 375.29 | 456 | 36 | 169 |
| 333.30 | 181 | 78 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.043 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Isoflavone | Toxicarolisoflavone |
| 0.037 | [Isoflavone]-A(1OMe, 1(C-Prenyl))-B(3OMe) | Isoflavone | Prebarbigerone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Catechin 3-O-p-hydroxybenzoate |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongapinone A |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(2OH, 1Geranyl) | Dihydrochalcone | 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OH, 2(C-Prenyl)) | Dihydrochalcone | 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydrochalcone alpha-ol | Kanzonol Y |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | 3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Dihydroflavonol | Gericudranin C |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Dihydroflavonol | Gericudranin B |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Flavonol | Velloquercetin 3,3',4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,5,3'-trimethyl ether |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl))-B(2OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Preferrugone |
| 0.000 | [Isoflavone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Pre-5-methoxydurmillone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | Rotenone | Amorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Rotenone | Sumatrol |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Toxicarol |
| 0.000 | [6-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | 6-Hydroxyrotenone | 2,3,6-Trihydroxy-5''-isopropenyldihydrofurano[2'',3'':9,8]rotenone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | Tephrosin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrodalpanol |
| Level: 3, プリカーサーm/z: 393.23203 |
| Splash: splash10-0fb9-0029000000-05b1ed5e72db05cc237c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 375.18 | 411 | 18 | 1000 |
| 351.25 | 235 | 42 | 571 |
| 333.30 | 94 | 60 | 227 |
| 365.29 | 50 | 28 | 121 |
| 295.25 | 47 | 98 | 114 |
| 305.25 | 37 | 88 | 89 |
| 335.29 | 34 | 58 | 83 |
| 213.04 | 32 | 180 | 77 |
| 332.37 | 30 | 61 | 71 |
| 252.25 | 29 | 141 | 71 |
| 281.20 | 29 | 112 | 71 |
| 173.03 | 27 | 220 | 64 |
| 228.18 | 27 | 165 | 64 |
| 279.27 | 27 | 114 | 64 |
| 293.25 | 26 | 100 | 64 |
| 253.29 | 26 | 140 | 63 |
| 357.17 | 26 | 36 | 63 |
| 347.30 | 25 | 46 | 60 |
| 235.11 | 23 | 158 | 55 |
| 237.13 | 22 | 156 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.156 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(1OH) | Flavanone | 7,4'-Dihydroxy-6,8-di-C-prenylflavanone |
| 0.156 | [2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4,2',4'-Trihydroxy-3',5'-diprenylchalcone |
| 0.156 | [Flavanone]-A(1OH)-B(1OH, 2(C-Prenyl)) | Flavanone | 7,4'-Dihydroxy-3',5'-di-C-prenylflavanone |
| 0.156 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 2(C-Prenyl)) | 2'-Hydroxychalcone | Abyssinone VI |
| 0.156 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Kanzonol C |
| 0.156 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Stipulin |
| 0.156 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavanone | 7,4'-Dihydroxy-8,3'-di-C-prenylflavanone |
| 0.097 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6,8-di-C-prenylflavanone |
| 0.069 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Ficifolinol |
| 0.069 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erythrabyssin II |
| 0.069 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erybraedin C |
| 0.069 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erybraedin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | 2'-Hydroxychalcone | Artoindonesianin J |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | 2'-Hydroxychalcone | Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | Flemiwallichin E |
| 0.000 | [2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(none) | 2'-Hydroxychalcone | 3'-Geranyl-2',4',6'-trihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(3OH, 1Neryl)-B(none) | 2'-Hydroxychalcone | 3'-Neryl-2',4',6'-trihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | 2'-Hydroxychalcone | Linderachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1Br)-B(1OMe) | 2'-Hydroxychalcone | 3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1Methyl)-B(none) | Dihydrochalcone | Anguvetin |
| 0.000 | [Flavanone]-A(1OH, 1Geranyl)-B(1OH) | Flavanone | Prostratol F |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Euchrenone a17 |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Dorsmanin B |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(none) | Flavanone | 5,7-Dihydroxy-8-C-geranylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Flavanone | Linderatone |
| 0.000 | [Flavone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavone | Semiglabrin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(5-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none) | Flavone | Hosloppin |
| 0.000 | [Flavone]-A(2OMe, 1(2,5-Dihydro-5,5-dimethyl-2-oxo-3-furanyl))-B(none) | Flavone | Hookerianin |
| 0.000 | [Flavone]-A(1OMe, 1([5,4:@@]-(2,2-Dimethyldihydro-3-oxofuro[2,3-c]pyrano)))-B(none) | Flavone | Stachyoidin |
| 0.000 | [Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH) | Flavonol | 8-C-p-Hydroxybenzylkaempferol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OH) | Flavonol | 5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavan | Kazinol B |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl)) | Isoflavan | Hispaglabridin A |
| 0.000 | [6a-substituted Pterocarpan (6a-C-Prenyl)]-A(1OH)-B(1OH, 1(C-Prenyl)) | 6a-substituted Pterocarpan | Lespein |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1Geranyl) | Pterocarpan | Lespedezin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrorotenone |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Dehydrorotenone | Dehydrodeguelin,7a,13a-Didehydrodeguelin |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Butyroyl)-B(none) | 4-phenylcoumarin | 6-Butyryl-5,7-dihydroxy-8-prenyl-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isobutyroyl)-B(none) | 4-phenylcoumarin | Mesuol |