ピーク情報
|
イチョウ 葉
pos
|
| Peak #6888 MN MID: SE205_S01_M90 |
| m/z: 437.25351, RT: 62.69, 強度: 40642, ログ強度: 1.06, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (6 names) Rhodojaponin IV;9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid;Epoxycladine B;(-)-Epoxycladine B;Epoxycladine A;(+)-Epoxycladine A |
| DBごとのヒット数: ALL 4 KG 1 KN 2 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.103, MS3: 0.091 |
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 |
|---|---|---|---|---|
| C24H38O8 | 454.25667 | 0.287 | Rhodojaponin IV | KEGG: C09180 KNApSAcK: C00003479 |
| C24H38O8 | 454.25667 | 0.287 | 9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid | LipidMAPS: LMFA03010098 |
| C24H38O8 | 454.25667 | 0.287 | Epoxycladine B | KNApSAcK: C00042495 |
| C24H38O8 | 454.25667 | 0.287 | Epoxycladine A | KNApSAcK: C00042494 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 437.25360 |
| Splash: splash10-02ta-0935600000-ec397f5d0235a543d047 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 419.27 | 4279 | 18 | 1000 |
| 163.01 | 2436 | 274 | 569 |
| 345.30 | 2296 | 92 | 536 |
| 154.93 | 1656 | 282 | 387 |
| 209.07 | 1607 | 228 | 375 |
| 145.11 | 665 | 292 | 155 |
| 173.06 | 547 | 264 | 127 |
| 135.11 | 476 | 302 | 111 |
| 327.37 | 473 | 110 | 110 |
| 436.34 | 417 | 1 | 97 |
| 181.13 | 407 | 256 | 95 |
| 363.30 | 373 | 74 | 87 |
| 393.39 | 368 | 44 | 86 |
| 392.49 | 303 | 45 | 70 |
| 227.16 | 288 | 210 | 67 |
| 153.08 | 274 | 284 | 63 |
| 401.39 | 273 | 36 | 63 |
| 191.10 | 269 | 246 | 62 |
| 211.12 | 261 | 226 | 61 |
| 283.23 | 254 | 154 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.105 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavone | 2'-Methoxylupalbigenin |
| 0.077 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | 6,8-Diprenylpratensein |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2'-Hydroxychalcone | Orotinichalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Glu))-B(1OH) | Dihydrochalcone | Nothofagin |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydrochalcone alpha-ol | Coatline A |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydrochalcone beta-ol | Pterosupin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone G |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone F |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavanone | 3'-Methoxylupinifolin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavanone | Fleminone |
| 0.000 | [Flavanone]-A(1OH, 2OMe, 1(2,5-Dihydroxybenzyl))-B(none) | Flavanone | Macrophyllol A (flavone) |
| 0.000 | [Flavone]-A(2OH, 1Geranyl)-B(1OH, 1OMe) | Flavone | Cannflavin A |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Artocarpin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH, 1(C-Prenyl)) | Flavone | Artobilichromene |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | 3-substituted Flavone | Artonin E |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH, 1(C-Prenyl)) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin J |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | 3-Methoxyminimiflorin |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | 3-O-methyllupinifolinol |
| 0.000 | [Dihydroflavonol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | 3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone | Sanggenon A |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone | Sanggenon M |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavonol | Broussonol B |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavonol | Broussonol A |
| 0.000 | [Flavonol]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Flavonol | Petalopurpurenol |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | 9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]catechin-8-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Cinnamoyl)) | Flavan 3-ol | Gallocatechin 3-O-cinnamate |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 4-ol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [4,2']-Epoxyflavan 4-ol | 4,6'-Epoxyorotiniflavan-4-ol |
| 0.000 | [Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe) | Isoflavone | 1'',2''-Dihydro-O-methylcyclopomiferin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Lupinisoflavone K |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone L |
| 0.000 | [Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe) | Isoflavone | 1'',2''-Dihydro-2'-hydroxycycloosajin |
| 0.000 | [Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | 2'-O-Methylcajanone |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Coumaranochromon | Euchretin B |
| 0.000 | [alpha-Phenyldihydrocoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | alpha-Phenyldihydrocoumarinic acid | Chapelieric acid methyl ester |
| Level: 3, プリカーサーm/z: 419.29645 |
| Splash: splash10-0002-0009100000-69e3323082c7c05b468d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 345.22 | 1139 | 74 | 1000 |
| 327.29 | 506 | 92 | 444 |
| 401.27 | 291 | 18 | 255 |
| 309.34 | 97 | 110 | 84 |
| 299.24 | 91 | 120 | 79 |
| 363.41 | 75 | 56 | 65 |
| 383.23 | 69 | 36 | 60 |
| 391.36 | 58 | 28 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [Flavonol]-A(4OMe)-B(2OMe) | Flavonol | Natsudaidain |
| 0.071 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Gangetinin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(4OMe) | Flavone | Agecorynin F |
| 0.000 | [Flavone]-A(3OMe)-B(1OH, 3OMe) | Flavone | Agecorynin G |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 2OMe) | Flavone | 4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 2OMe) | Flavone | 3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | 8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | Gardenin A |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | Agehoustin E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Glu))-B(1OH) | 2'-Hydroxychalcone | 3'-C-Glucosylisoliquiritigenin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(2OH) | 2'-Hydroxychalcone | 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OMe) | Dihydrochalcone | Calomelanol A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(1OH) | Flavanone | 8-C-beta-D-Galactosylliquiritigenin |
| 0.000 | [Flavanone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | Agecorynin B |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(2OH) | Flavone | 6-C-Xylosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH) | Flavone | 8-C-alpha-L-Arabinosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH) | Flavone | 6-C-alpha-L-Arabinosylluteolin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclomorusin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Isocyclomorusin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(4OMe) | Flavonol | 5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OH, 2OMe) | Flavonol | 4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | Grantioidinin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe) | Flavonol | 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone |
| 0.000 | [CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin]-A(1OH)-B(2OH) | CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin | Rosacyanin B |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6-Hydroxymethyl-6-methylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone D |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexin C |
| 0.000 | [Isoflavone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Scandinone |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Nitiducarpin |
| 0.000 | [Coumaranochromon]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Coumaranochromon | Millettin |