ピーク情報
|
きく 花びら 生 黄色
pos
|
| Peak #5546 MN MID: SE123_S060581_M90 |
| m/z: 329.17470, RT: 82.28, 強度: 26224, ログ強度: 0.99, 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: (65 names) Hypopurin A;(+)-Hypopurin A;Gelomulide D;Verimol H;Bipinnatin J;(-)-Bipinnatin J;Haplomitrenolide A;4-[10-Hydroxyneryloxy]-5-methylcoumarin;Taiwaniaquinone D;(-)-Taiwaniaquinone D;Lophodione;Sclareapi... |
| DBごとのヒット数: ALL 50 KG 4 KN 40 HM 6 |
| FlavonoidSearch最大スコア MS2: 0.071, 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 |
|---|---|---|---|---|
| C20H24O4 | 328.16746 | -0.107 | Gelomulide D | KNApSAcK: C00042548 |
| C20H24O4 | 328.16746 | -0.107 | Hypopurin A | KNApSAcK: C00043600 |
| C20H24O4 | 328.16746 | -0.107 | 2,5-Bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane | HMDB: HMDB0036720 KNApSAcK: C00055321 |
| C20H24O4 | 328.16746 | -0.107 | Bipinnatin J | KNApSAcK: C00049435 |
| C20H24O4 | 328.16746 | -0.107 | Haplomitrenolide A | KNApSAcK: C00023396 |
| C20H24O4 | 328.16746 | -0.107 | 4-[10-Hydroxyneryloxy]-5-methylcoumarin | KNApSAcK: C00019907, C00019926 |
| C20H24O4 | 328.16746 | -0.107 | Taiwaniaquinone D | KNApSAcK: C00032280 |
| C20H24O4 | 328.16746 | -0.107 | Lophodione | KNApSAcK: C00039654 |
| C20H24O4 | 328.16746 | -0.107 | Sclareapinone | HMDB: HMDB0030645 |
| C20H24O4 | 328.16746 | -0.107 | Crotonkinensin A | KNApSAcK: C00047821 |
| C20H24O4 | 328.16746 | -0.107 | Ballonigrin | KNApSAcK: C00022287 |
| C20H24O4 | 328.16746 | -0.107 | Crocetin | HMDB: HMDB0035098, HMDB0250540 KEGG: C08588 KNApSAcK: C00003768 LipidMAPS: LMPR0104010020 |
| C20H24O4 | 328.16746 | -0.107 | Vernudifloride | KNApSAcK: C00020800 |
| C20H24O4 | 328.16746 | -0.107 | Sobetirome | HMDB: HMDB0258355 KEGG: C15618 |
| C20H24O4 | 328.16746 | -0.107 | Isoanwulignan | KNApSAcK: C00030517 |
| C20H24O4 | 328.16746 | -0.107 | Mandarone B | KNApSAcK: C00039730 |
| C20H24O4 | 328.16746 | -0.107 | 4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione | HMDB: HMDB0040760 |
| C20H24O4 | 328.16746 | -0.107 | Sagequinone methide A | HMDB: HMDB0030841 |
| C20H24O4 | 328.16746 | -0.107 | 3-Oxo-isotaxodione | KNApSAcK: C00035940 |
| C20H24O4 | 328.16746 | -0.107 | Mutisicoumarin | KNApSAcK: C00022692 |
| C20H24O4 | 328.16746 | -0.107 | Obtusanal B | KNApSAcK: C00032085 |
| C20H24O4 | 328.16746 | -0.107 | Guaiaretic acid | KNApSAcK: C00000585 |
| C20H24O4 | 328.16746 | -0.107 | Neoadenostylone | KNApSAcK: C00046201 |
| C20H24O4 | 328.16746 | -0.107 | Pleraplysillin 2 | KNApSAcK: C00011497 |
| C20H24O4 | 328.16746 | -0.107 | 8alpha-Angeloyloxytannunolide | KNApSAcK: C00034402 |
| C20H24O4 | 328.16746 | -0.107 | Nepetanudone | KNApSAcK: C00039843, C00039844 |
| C20H24O4 | 328.16746 | -0.107 | Macelignan | HMDB: HMDB0036459 KNApSAcK: C00031992, C00052908 |
| C20H24O4 | 328.16746 | -0.107 | [3aS-(3aalpha,5alpha,6aalpha,9aalpha,9bbeta)]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 3-methyl-2-butenoic acid | KNApSAcK: C00020802 |
| C20H24O4 | 328.16746 | -0.107 | 3-Oxosapriparaquinone | KNApSAcK: C00035943 |
| C20H24O4 | 328.16746 | -0.107 | 12,16-Epoxycarnosol | KNApSAcK: C00031495 |
| C20H24O4 | 328.16746 | -0.107 | epi-Guaiacin | HMDB: HMDB0034178 KNApSAcK: C00037109, C00037221, C00052453 |
| C20H24O4 | 328.16746 | -0.107 | (17S)-4,6-androstadiene-3,12-dione-17-carboxylic acid | LipidMAPS: LMST02030258 |
| C20H24O4 | 328.16746 | -0.107 | Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid | KEGG: C15174 |
| C20H24O4 | 328.16746 | -0.107 | 5-Geranyloxy-7-methoxycoumarin | HMDB: HMDB0032954 |
| C20H24O4 | 328.16746 | -0.107 | Kallolide A | KNApSAcK: C00049463 |
| C20H24O4 | 328.16746 | -0.107 | Vernoflexin | KEGG: C09578 KNApSAcK: C00003386 |
| C20H24O4 | 328.16746 | -0.107 | Sciadinone | KNApSAcK: C00022290 |
| C20H24O4 | 328.16746 | -0.107 | Dehydrokerlin | KNApSAcK: C00030103 |
| C20H24O4 | 328.16746 | -0.107 | 4-[4-Hydroxygeranyloxy]-5-methylcoumarin | KNApSAcK: C00019905 |
| C20H24O4 | 328.16746 | -0.107 | Sacacarin | KNApSAcK: C00042923 |
| C20H24O4 | 328.16746 | -0.107 | Ovatodiolide | KNApSAcK: C00039908 |
| C20H24O4 | 328.16746 | -0.107 | 8-Methoxygravelliferone | HMDB: HMDB0030728 |
| C20H24O4 | 328.16746 | -0.107 | Hebeclinolide | KNApSAcK: C00022181 |
| C20H24O4 | 328.16746 | -0.107 | Endiandrin A | KNApSAcK: C00039109 |
| C20H24O4 | 328.16746 | -0.107 | 6-Methoxy-7-geranyloxy coumarin | KNApSAcK: C00033590, C00036626 |
| C20H24O4 | 328.16746 | -0.107 | Sciadin | KNApSAcK: C00023350 |
| C20H24O4 | 328.16746 | -0.107 | Triptoquinone A | KNApSAcK: C00035774 |
| C20H24O4 | 328.16746 | -0.107 | 6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one | KNApSAcK: C00017436 |
| C20H24O4 | 328.16746 | -0.107 | Marislin | KNApSAcK: C00011482 |
| C20H24O4 | 328.16746 | -0.107 | 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone | HMDB: HMDB0029524 |
| C20H24O4 | 328.16746 | -0.107 | [3aS-[3aalpha,5alpha(Z),6aalpha,9aalpha,9bbeta]]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid | KNApSAcK: C00020801 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 329.17474 |
| Splash: splash10-004i-0190000000-af15d0e450d9f02257b8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.05 | 7752 | 100 | 1000 |
| 183.04 | 1439 | 146 | 185 |
| 211.03 | 963 | 118 | 124 |
| 311.17 | 444 | 18 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.071 | [Chalcone]-A(4OMe)-B(none) | Chalcone | 2',3',4',6'-Tetramethoxychalcone |
| 0.053 | [Flavonol]-A(3OMe)-B(none) | Flavonol | 3-Hydroxy-5,7,8-trimethoxyflavone |
| 0.043 | [Isoflavone]-A(1OMe)-B(1OH, 2OMe) | Isoflavone | 2'-Hydroxy-7,3',4'-trimethoxyisoflavone |
| 0.043 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | 5-Methoxyafrormosin |
| 0.043 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | 7,4'-Di-O-methyltectorigenin |
| 0.043 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | Iso-5-methoxyafrormosin |
| 0.043 | [Isoflavone]-A(1OH)-B(3OMe) | Isoflavone | 7-Hydroxy-2',4',5'-trimethoxyisoflavone |
| 0.043 | [Isoflavone]-A(1OH, 1OMe)-B(2OMe) | Isoflavone | Cladrastin |
| 0.043 | [Isoflavone]-A(1OH, 1OMe)-B(2OMe) | Isoflavone | 7-Hydroxy-8,3',4'-trimethoxyisoflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Grantionin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Zapotinin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | 5-Hydroxy-7,2',5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | 5-Hydroxy-7,2',6'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Luteolin 5,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Luteolin 7,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Noratocarpetin 7,2',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | 6-Hydroxy-5,7,4'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Salvigenin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | 7-Hydroxy-5,8,2'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Andrographin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Isoscutellarein 7,8,4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(none) | Flavone | 8-Hydroxy-5,6,7-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(none) | Flavone | Alnetin |
| 0.000 | [Flavonol]-A(2OMe)-B(1OMe) | Flavonol | 3-Hydroxy-7,8,4'-trimethoxyflavone |
| 0.000 | [Flavonol]-A(1OMe)-B(2OMe) | Flavonol | Fisetin 7,3',4'-trimethyl ether |
| 0.000 | [Aurone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe) | Aurone | 6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone |
| 0.000 | [Aurone]-A(1OH, 2OMe)-B(1OMe) | Aurone | 5-Hydroxy-4,6,4'-trimethoxyaurone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Tephrone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Milletenone |
| 0.000 | [UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone]-A(1OH, 4Methyl)-B(1OH) | UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone | 2-Hydroxy-7,8-dehydrograndiflorone |
| 0.000 | [Flavanone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | 7,2'-Dimethoxy-4',5'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavanone | 6,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(2OMe, 1Hydroxymethyl, 1Methyl)-B(none) | Flavanone | 5-O-Methylleridol |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavanone | 5-Hydroxy-7,4'-dimethoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavanone | 5,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavanone | Betagarin |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavanone | 5,4'-Dimethoxy-6,7-methylenedioxyflavanone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(2OH) | Flavone | 5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone |
| 0.000 | [Flavone]-A(2OH, 1([@@]-Methylenedioxy))-B(1OMe) | Flavone | Kanzakiflavone 1 |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Propionyl)) | Dihydroflavonol | Pinobanksin 3-O-propionate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5-Dihydroxy-7-methoxyflavanone 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 6-Methypinobanksin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH) | Flavonol | Kaempferol 3,5,7-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe) | Flavonol | Kaempferol 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavonol | 8-Demethyllatifolin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavonol | 6,8-Di-C-methylkaempferol 7-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH) | Flavonol | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | Alnustin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Flavonol | 5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | 7-Hydroxy-3,5,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | Methylgnaphaliin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(none) | Flavonol | Platanin 3,7-dimethyl ether |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol (4-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | 4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | 5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Dalspinin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | 5,4'-Trihydroxy-3'-methoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavanone | 6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 2-Methoxypterocarpin |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 4-Methoxypterocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Acanthocarpan |
| 0.000 | [Pterocarpan-6-ol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6-ol | 6-Methoxypterocarpin |
| 0.000 | [UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene | Bryaquinone |
| 0.000 | [Pterocarpene]-A(1OMe)-B(1OH, 2OMe) | Pterocarpene | Bryacarpene 2 |
| 0.000 | [Pterocarpene]-A(1OH, 1OMe)-B(2OMe) | Pterocarpene | Bryacarpene 4 |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OH, 1OMe) | 4-phenylcoumarin | 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(1OMe) | 4-phenylcoumarin | Exostemin |
| Level: 3, プリカーサーm/z: 229.09384 |
| Splash: splash10-03e9-0970000000-f67a8f31017791c37dd9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 211.13 | 1788 | 18 | 1000 |
| 183.10 | 1663 | 46 | 929 |
| 201.09 | 370 | 28 | 207 |
| 185.05 | 231 | 44 | 129 |
| 156.97 | 226 | 72 | 126 |
| 143.08 | 223 | 86 | 124 |
| 173.06 | 198 | 56 | 110 |
| 187.08 | 109 | 42 | 61 |
| 193.07 | 104 | 36 | 58 |
FlavonoidSearch結果
ヒットなし