ピーク情報
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イネ 葉 コシヒカリ
pos
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| Peak #7942 MN MID: SE199_S31_M90 |
| m/z: 319.19021, RT: 78.36, 強度: 1587, ログ強度: -0.35, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (22 names) 3,4,17beta-trihydroxy-9,10-seco-androsta-1,3,5(10)-triene-9-one;9-O-Acetylfalcarindiolone;7alpha-Hydroxytestololactone;7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione;8-O-Acetylfalcarindiolone;[... |
| DBごとのヒット数: ALL 20 KG 4 KN 13 HM 1 LM 2 |
| FlavonoidSearch最大スコア MS2: 0.250, 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 |
|---|---|---|---|---|
| C19H26O4 | 318.18311 | -0.562 | 3,4,17beta-trihydroxy-9,10-seco-androsta-1,3,5(10)-triene-9-one | LipidMAPS: LMST02020116 |
| C19H26O4 | 318.18311 | -0.562 | 9-O-Acetylfalcarindiolone | KNApSAcK: C00055244 |
| C19H26O4 | 318.18311 | -0.562 | 7alpha-Hydroxytestololactone | KEGG: C15351 |
| C19H26O4 | 318.18311 | -0.562 | [8]-Dehydrogingerdione | HMDB: HMDB0039277, HMDB0302132 KNApSAcK: C00035471, C00054554 |
| C19H26O4 | 318.18311 | -0.562 | 8-O-Acetylfalcarindiolone | KNApSAcK: C00055242 |
| C19H26O4 | 318.18311 | -0.562 | 10beta-Hydroxy-2beta-(2-methylacryloyloxy)furanoeremophilane | KNApSAcK: C00017347 |
| C19H26O4 | 318.18311 | -0.562 | Subcordatolide E | KNApSAcK: C00012910 |
| C19H26O4 | 318.18311 | -0.562 | [4beta(Z)]-12,13-epoxytrichothec-9-en-4-ol 2-butenoate | KNApSAcK: C00012647 |
| C19H26O4 | 318.18311 | -0.562 | 6beta-Isobutyryloxysenberginone | KNApSAcK: C00049094 |
| C19H26O4 | 318.18311 | -0.562 | Cohulupone | HMDB: HMDB0030064 KNApSAcK: C00055780 |
| C19H26O4 | 318.18311 | -0.562 | Salvidorol | KNApSAcK: C00034890 |
| C19H26O4 | 318.18311 | -0.562 | 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate | KEGG: C15151 |
| C19H26O4 | 318.18311 | -0.562 | 6beta-Isobutyroyloxy-10alphaH-9-oxofuranoeremophilane | KNApSAcK: C00017417 |
| C19H26O4 | 318.18311 | -0.562 | 2-Methoxyestriol | HMDB: HMDB0245202 |
| C19H26O4 | 318.18311 | -0.562 | 6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione | KEGG: C14983 |
| C19H26O4 | 318.18311 | -0.562 | Ubiquinone | HMDB: HMDB0006709, HMDB0244553 KEGG: C00399 |
| C19H26O4 | 318.18311 | -0.562 | Panaquinquecol 6 | HMDB: HMDB0035500 LipidMAPS: LMFA07010986 |
| C19H26O4 | 318.18311 | -0.562 | 9beta-Isobutyryloxy costunolide | HMDB: HMDB0031373 KNApSAcK: C00021703 |
| C19H26O4 | 318.18311 | -0.562 | Dechloroisochromophilone III | KNApSAcK: C00053041 |
| C19H26O4 | 318.18311 | -0.562 | [4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid | KNApSAcK: C00017381 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 319.19022 |
| Splash: splash10-0udi-0009000000-1c0dc009a5593a103e5a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 301.17 | 4904 | 18 | 1000 |
| 283.21 | 421 | 36 | 85 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin 3-methyl ether |
| 0.200 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone |
| 0.200 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 8-Methoxyfustin |
| 0.200 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone |
| 0.200 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Taxifolin 5-methyl ether |
| 0.200 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Padmatin |
| 0.200 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone |
| 0.200 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 4'-methyl ether |
| 0.200 | [Dihydroflavonol]-A(1OH)-B(2OH, 1OMe) | Dihydroflavonol | Sepinol |
| 0.167 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,3'-dimethyl ether |
| 0.167 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 7,4'-dimethyl ether |
| 0.167 | [Flavan 3-ol]-A(2OH)-B(2OMe) | Flavan 3-ol | Catechin 3',4'-dimethyl ether |
| 0.125 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone |
| 0.125 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Dihydroisorhamnetin |
| 0.083 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,6,7,3',4',5'-Hexahydroxyflavone |
| 0.083 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,7,8,3',4',5'-Hexahydroxyflavone |
| 0.083 | [Flavone]-A(4OH)-B(2OH) | Flavone | Bitalgenin |
| 0.083 | [Anthocyanidin]-A(3OH)-B(3OH) | Anthocyanidin | 6-Hydroxydelphinidin |
| 0.083 | [Flavanone]-A(3OH)-B(1OH, 1OMe) | Flavanone | 8-Hydroxyhesperetin |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 6-Methoxyeriodictyol |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxyeriodictyol |
| 0.053 | [Flavonol]-A(4OH)-B(1OH) | Flavonol | 3,5,6,7,8,4'-Hexahydroxyflavone |
| 0.053 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Quercetagetin |
| 0.053 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Gossypetin |
| 0.053 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,8,3',4',5'-Hexahydroxyflavone |
| 0.053 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | Myricetin |
| 0.053 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 5'-Hydroxymorin |
| 0.053 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,7,2',3',4'-Hexahydroxyflavone |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | Bryaflavan |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | 8-Demethylduartin |
| 0.000 | [UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH) | UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone | Protofarrerol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | 6-Methyltaxifolin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | Deodarin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH) | Flavan 4-ol | 4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe) | Isoflavanone-3-ol | Bolusanthin |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH) | 3-substituted 2-Phenylbenzofuran | Norwedelic acid |