ピーク情報
|
イネ 玄米 コシヒカリ
pos
|
| Peak #5084 MN MID: SE199_S11_M90 |
| m/z: 425.29100, RT: 82.86, 強度: 3801, ログ強度: 0.15, 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: (18 names) 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid;1beta-Hydroxycholic acid;3alpha,5beta,7alpha,12alpha-Tetrahydroxycholan-24-oic Acid;GEX 1Q5;3alpha,7alpha,12alpha,16alpha-tetrahydroxy-5beta-cholan-24-oic A... |
| DBごとのヒット数: ALL 15 KG 1 KN 2 HM 2 LM 10 |
| FlavonoidSearch最大スコア MS2: 0.211, 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 |
|---|---|---|---|---|
| C24H40O6 | 424.28249 | 2.903 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid | HMDB: HMDB0000311, HMDB0000437 LipidMAPS: LMST04010116, LMST04010117 |
| C24H40O6 | 424.28249 | 2.903 | 1beta-Hydroxycholic acid | HMDB: HMDB0000307, HMDB0000433 LipidMAPS: LMST04010114 |
| C24H40O6 | 424.28249 | 2.903 | 3alpha,5beta,7alpha,12alpha-Tetrahydroxycholan-24-oic Acid | LipidMAPS: LMST04010419 |
| C24H40O6 | 424.28249 | 2.903 | GEX 1Q5 | KNApSAcK: C00015097 |
| C24H40O6 | 424.28249 | 2.903 | 3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid | HMDB: HMDB0000367, HMDB0000377, HMDB0000399 LipidMAPS: LMST04010118, LMST04010119, LMST04010120, LMST04010121, LMST04010122, LMST04010123, LMST04010124, LMST04010125 |
| C24H40O6 | 424.28249 | 2.903 | 3alpha,7alpha,12alpha,16alpha-tetrahydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010448 |
| C24H40O6 | 424.28249 | 2.903 | 3a,7b,21-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0013192 |
| C24H40O6 | 424.28249 | 2.903 | 1b,3a,7b-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0013158 |
| C24H40O6 | 424.28249 | 2.903 | 2chi,3alpha,6alpha,7alpha-Tetrahydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010252 |
| C24H40O6 | 424.28249 | 2.903 | alpha-Phocaecholic acid | KEGG: C17651 LipidMAPS: LMST04010254, LMST04010261, LMST04030212 |
| C24H40O6 | 424.28249 | 2.903 | 3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid | HMDB: HMDB0000340 LipidMAPS: LMST04010126 |
| C24H40O6 | 424.28249 | 2.903 | Muqubilone | KNApSAcK: C00045620, C00046172 |
| C24H40O6 | 424.28249 | 2.903 | (23R)-3alpha,7alpha,17alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010421 |
| C24H40O6 | 424.28249 | 2.903 | 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid | HMDB: HMDB0000316 LipidMAPS: LMST04010115, LMST04010294 |
| C24H40O6 | 424.28249 | 2.903 | (23R)-3alpha,5beta,7alpha,23-Tetrahydroxycholan-24-oic Acid | LipidMAPS: LMST04010420 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 425.29053 |
| Splash: splash10-0a4i-0019100000-7cacc6c60bc515434035 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 359.27 | 688 | 66 | 1000 |
| 407.22 | 189 | 18 | 275 |
| 341.34 | 164 | 84 | 238 |
| 389.38 | 151 | 36 | 220 |
| 331.29 | 144 | 94 | 209 |
| 261.29 | 111 | 164 | 161 |
| 371.43 | 98 | 54 | 141 |
| 263.27 | 67 | 162 | 96 |
| 313.32 | 43 | 112 | 62 |
| 353.44 | 38 | 72 | 55 |
| 323.43 | 36 | 102 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.211 | [Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(1OH) | Dihydroflavonol | 6,8-diprenylaromadendrin |
| 0.211 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | Lespedezaflavanone C |
| 0.136 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | Monotesone B |
| 0.136 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | 6,8-Diprenyleriodictyol |
| 0.136 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | Kushenol E |
| 0.136 | [Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl)) | Flavanone | Sigmoidin A |
| 0.136 | [Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl)) | Flavanone | Abyssinin III |
| 0.136 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Gancaonin E |
| 0.136 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | 5,7,3',4'-Tetrahydroxy-6,5'-di-C-prenylflavanone |
| 0.136 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone D |
| 0.042 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavanone | 3'-Dimethylallylkievitone |
| 0.000 | [Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavone | 7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Angusticornin B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(4-Hydroxy-5-(hydroxyisopropanyl)dihydrofurano))) | 2'-Hydroxychalcone | Paratocarpin G |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | 2'-Hydroxychalcone | Tephropurpurin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin E |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin F |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4-Ispropyl-7-methyl-7-hydroxy-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none) | Dihydrochalcone | Adunctin E |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Helihumulone |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Exiguaflavanone A |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH) | Flavanone | Exiguaflavanone L |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavanone | Lupiniol A1 |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Flavanone | Lupiniol B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(3-Methyl-2,3-epoxybutyl)) | Flavanone | Flemiflavanone D |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Lonchocarpol C |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Lonchocarpol D |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(2OH) | Flavanone | Diplacone |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Propolin D |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Isonymphaeol B |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Dorsmanin J |
| 0.000 | [Flavanone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Dorsmanin E |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl)) | Flavanone | 2',4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl)) | Flavanone | 5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Sanggenol A |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | 5'-Geranylsteppogenin |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(2OH) | Flavanone | Sophoraflavanone C |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Kushenol F |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Sophoraflavanone G |
| 0.000 | [Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(2OH) | Flavanone | Remangiflavanone B |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH) | Flavanone | Leachianone F |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH) | Dihydroflavonol | Bonanniol A |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl)) | Dihydroflavonol | Hypnum acid |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | 8-C-Methylvelloquercetin 3,5,3'-trimethyl ether |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | 6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one |
| 0.000 | [Isoflavanone]-A(2OH, 1Geranyl)-B(2OH) | Isoflavanone | 6-Geranyldalbergioidin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavan | Licoricidin |
| 0.000 | [Rotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Erythynone |
| 0.000 | [12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Methoxyrotenone |
| 0.000 | [6-Hydroxydehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 6-Hydroxydehydrorotenone | 6-Hydroxy-6a,12a-dehydro-alpha-toxicarol |