ピーク情報
|
イネ 葉 コシヒカリ
pos
|
| Peak #8204 MN MID: SE199_S31_M90 |
| m/z: 305.21113, RT: 85.11, 強度: 1302, ログ強度: -0.44, 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: (44 names) 2beta-Hydroxytestosterone;4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one;4beta,5beta-Epoxytestosterone;17beta-hydroxy-5alpha-androstan-1,3-dione;15-Hydroxytestosterone;16a-Hydroxydehydroisoandrost... |
| DBごとのヒット数: ALL 35 KG 16 KN 10 HM 3 LM 6 |
| FlavonoidSearch最大スコア MS2: 0.182, 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 |
|---|---|---|---|---|
| C19H28O3 | 304.20384 | 0.023 | 2beta-Hydroxytestosterone | HMDB: HMDB0012654 LipidMAPS: LMST02020144 |
| C19H28O3 | 304.20384 | 0.023 | 4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one | KEGG: C15286 |
| C19H28O3 | 304.20384 | 0.023 | 17beta-hydroxy-5alpha-androstan-1,3-dione | LipidMAPS: LMST02020112 |
| C19H28O3 | 304.20384 | 0.023 | 15alpha-Hydroxytestosterone | HMDB: HMDB0244673 KEGG: C14649 |
| C19H28O3 | 304.20384 | 0.023 | 16alpha-Hydroxydehydroepiandrosterone | HMDB: HMDB0000309, HMDB0000324, HMDB0000352, HMDB0244758 KEGG: C05139 LipidMAPS: LMST02020064, LMST02020090, LMST02020091, LMST02020092 |
| C19H28O3 | 304.20384 | 0.023 | 17beta-hydroxyandrostan-3,11-dione | LipidMAPS: LMST02020122, LMST02020127 |
| C19H28O3 | 304.20384 | 0.023 | 1,2,4,5-Tetrahydrotestolactone | KEGG: C14912 |
| C19H28O3 | 304.20384 | 0.023 | (8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-dione | HMDB: HMDB0258072 |
| C19H28O3 | 304.20384 | 0.023 | Ginsenoyne G | HMDB: HMDB0039589 |
| C19H28O3 | 304.20384 | 0.023 | 11beta,17beta-Dihydroxy-4-androsten-3-one | HMDB: HMDB0012533, HMDB0060339, HMDB0255780 KEGG: C18075, C15306 LipidMAPS: LMST02020124 |
| C19H28O3 | 304.20384 | 0.023 | 16alpha-Hydroxytestosterone | KEGG: C14600 LipidMAPS: LMST02020125 |
| C19H28O3 | 304.20384 | 0.023 | ent-15-Nor-14-oxo-8(17),12E-labdadiene-18-oic acid | KNApSAcK: C00023425 |
| C19H28O3 | 304.20384 | 0.023 | 7alpha-Hydroxydehydroepiandrosterone | HMDB: HMDB0004611, HMDB0004624, HMDB0247362 KEGG: C18045 LipidMAPS: LMST02020101, LMST02020106 |
| C19H28O3 | 304.20384 | 0.023 | 4-Hydroxytestosterone | HMDB: HMDB0003956, HMDB0246468 LipidMAPS: LMST02020102 |
| C19H28O3 | 304.20384 | 0.023 | 11beta-hydroxyandrostan-3,17-dione | LipidMAPS: LMST02020121 |
| C19H28O3 | 304.20384 | 0.023 | 16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one | KEGG: C15144 |
| C19H28O3 | 304.20384 | 0.023 | Agallochin I | KNApSAcK: C00045217 |
| C19H28O3 | 304.20384 | 0.023 | 10-Acetoxy-8-heptadecene-4,6-diyn-3-ol. | HMDB: HMDB0039735 KNApSAcK: C00054890 |
| C19H28O3 | 304.20384 | 0.023 | 14alpha,17beta-Dihydroxyandrost-4-en-3-one | KEGG: C14627 |
| C19H28O3 | 304.20384 | 0.023 | 3-Acetoxy-9-heptadecene-4,6-diyn-8-ol. | KNApSAcK: C00054202 |
| C19H28O3 | 304.20384 | 0.023 | Monacolin L | KNApSAcK: C00018633 |
| C19H28O3 | 304.20384 | 0.023 | 5beta-androstan-16alpha-hydroxy-3,17dione | LipidMAPS: LMST02020140, LMST02020141 |
| C19H28O3 | 304.20384 | 0.023 | (5S,8R,9S,10S)-18-nor-cleroda-13-en-16,15-olide-4-one | LipidMAPS: LMPR0104040008 |
| C19H28O3 | 304.20384 | 0.023 | Acalycixeniolide K | KNApSAcK: C00045608, C00045609 |
| C19H28O3 | 304.20384 | 0.023 | (5S,8R,9S,10S)-18-nor-cleroda-13-en-16,15-olide-3-one | LipidMAPS: LMPR0104040007 |
| C19H28O3 | 304.20384 | 0.023 | 7alpha,17beta-dihydroxyandrost-4-en-3-one | HMDB: HMDB0247408 KEGG: C05291 LipidMAPS: LMST02020068 |
| C19H28O3 | 304.20384 | 0.023 | 6beta-Hydroxytestosterone | HMDB: HMDB0006259, HMDB0246368 KEGG: C14497 LipidMAPS: LMST02020054 |
| C19H28O3 | 304.20384 | 0.023 | Merilactone | KNApSAcK: C00046128 |
| C19H28O3 | 304.20384 | 0.023 | Flavoglaucin | KNApSAcK: C00030252 |
| C19H28O3 | 304.20384 | 0.023 | 17beta-Hydroxy-5alpha-androstan-3,6-dione | KEGG: C15416 |
| C19H28O3 | 304.20384 | 0.023 | 11-Ketoetiocholanolone | HMDB: HMDB0006031 KEGG: C14552, C14671 LipidMAPS: LMST02020087, LMST02020123 |
| C19H28O3 | 304.20384 | 0.023 | 3beta-Hydroxy-5alpha-androstane-7,17-dione | KEGG: C15332 |
| C19H28O3 | 304.20384 | 0.023 | 3beta,6alpha-dihydroxy-5alpha-androst-9(11)-en-17-one | LipidMAPS: LMST02020109 |
| C19H28O3 | 304.20384 | 0.023 | 16-Oxoandrostenediol | HMDB: HMDB0000322 LipidMAPS: LMST02020088 |
| C19H28O3 | 304.20384 | 0.023 | [8]-Shogaol | HMDB: HMDB0031464 KNApSAcK: C00035035 |
| C19H28O3 | 304.20384 | 0.023 | 19-Hydroxytestosterone | HMDB: HMDB0006769, HMDB0060089 KEGG: C05294 LipidMAPS: LMST02020070 |
| C19H28O3 | 304.20384 | 0.023 | Homaxinolide A | KNApSAcK: C00043578 |
| C19H28O3 | 304.20384 | 0.023 | 1alpha-Hydroxytestosterone | HMDB: HMDB0243903 KEGG: C21296 LipidMAPS: LMST02020143 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 305.21100 |
| Splash: splash10-000i-0090000000-42301f66f760a506e801 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 287.16 | 1039 | 18 | 1000 |
| 269.19 | 106 | 36 | 102 |
| 245.24 | 68 | 60 | 65 |
| 259.08 | 63 | 46 | 60 |
| 205.16 | 55 | 100 | 52 |
| 229.05 | 53 | 76 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Dihydroflavonol]-A(3OH)-B(1OH) | Dihydroflavonol | 3,5,7,8,4'-Pentahydroxyflavanone |
| 0.250 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 8-Hydroxyfustin |
| 0.250 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 3,5,7,2',5'-Pentahydroxyflavanone |
| 0.250 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 3,5,7,2',6'-Pentahydroxyflavanone |
| 0.250 | [Dihydroflavonol]-A(1OH)-B(3OH) | Dihydroflavonol | Dihydrorobinetin |
| 0.182 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin |
| 0.182 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | Dihydromorin |
| 0.167 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 3,5,7,3',5'-Pentahydroxyflavanone |
| 0.133 | [Flavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavone | 6'',6''-Dimethylpyrano[2'',3'':7,8]flavone |
| 0.100 | [Flavan 3-ol]-A(1OH, 1OMe)-B(2OH) | Flavan 3-ol | Catechin-7-methyl ether |
| 0.100 | [Flavan 3-ol]-A(2OH)-B(1OH, 1OMe) | Flavan 3-ol | Symplocosidin |
| 0.100 | [Flavan 3-ol]-A(2OH)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 4'-methyl ether |
| 0.100 | [Flavan 3-ol]-A(2OH)-B(1OH, 1OMe) | Flavan 3-ol | Catechin-3'-methyl ether |
| 0.071 | [2'-Hydroxychalcone]-A(3OH)-B(3OH) | 2'-Hydroxychalcone | 3,4,5,2',4',6'-Hexahydroxychalcone |
| 0.067 | [Flavanone]-A(2OH)-B(3OH) | Flavanone | 5,7,3',4',5'-Pentahydroxyflavanone |
| 0.000 | [Isoflavan]-A(2OH)-B(2OH, 1OMe) | Isoflavan | 3',8-Dihydroxyvestitol |
| 0.000 | [Auronol]-A(2OH)-B(2OH) | Auronol | Nigrescin |
| 0.000 | [Auronol]-A(2OH)-B(2OH) | Auronol | Alphitonin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(2OH) | beta-Hydroxy(or Oxodihydro)chalcone | 3,4,2',4',6',beta-Hexahydroxychalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone beta-ol | 4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(2OH) | 2-Hydroxyflavanone | 2,5,7,3',4'-Pentahydroxyflavanone |
| 0.000 | [Flavone]-A(2OH, 1Cl)-B(1OH) | Flavone | 6-Chloroapigenin |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe)-B(1OH) | Flavan 3,4-diol | Ortin-4alpha-ol 8-methyl ether |