ピーク情報
|
イネ 玄米 ニッポンバレ
pos
|
| Peak #5174 MN MID: SE199_S21_M90 |
| m/z: 299.25873, RT: 83.66, 強度: 2498, ログ強度: -0.00, 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: (23 names) 9,12-dihydroxy-octadecanoic acid;MG(0:0/i-15:0/0:0);9,10-Dihydroxystearate;6,7-dihydroxy-octadecanoic acid;8,9-dihydroxy-octadecanoic acid;5,6-dihydroxy-octadecanoic acid;15,16-dihydroxy-octadecanoic ... |
| DBごとのヒット数: ALL 23 KG 1 HM 7 LM 15 |
| FlavonoidSearch最大スコア MS2: 0.111, 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 |
|---|---|---|---|---|
| C18H36O4 | 316.26136 | 2.076 | 9,12-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000143 |
| C18H36O4 | 316.26136 | 2.076 | 10,13-Dihydroxyoctadecanoic acid | LipidMAPS: LMFA02000413 |
| C18H36O4 | 316.26136 | 2.076 | 5,6-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000138 |
| C18H36O4 | 316.26136 | 2.076 | (+)-15,16-Dihydroxyoctadecanoic acid | HMDB: HMDB0031008 LipidMAPS: LMFA02000174 |
| C18H36O4 | 316.26136 | 2.076 | 13,14-dihydroxy-octadecanoic acid | LipidMAPS: LMFA01050552 |
| C18H36O4 | 316.26136 | 2.076 | 1-O-(2R-methoxy-4Z-tetradecenyl)-sn-glycerol | LipidMAPS: LMGL01020046 |
| C18H36O4 | 316.26136 | 2.076 | 11,12-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000145 |
| C18H36O4 | 316.26136 | 2.076 | 1-O-(2R-hydroxy-4Z-pentadecenyl)-sn-glycerol | LipidMAPS: LMGL01020054 |
| C18H36O4 | 316.26136 | 2.076 | MG(0:0/a-15:0/0:0)[rac] | HMDB: HMDB0072862 |
| C18H36O4 | 316.26136 | 2.076 | MG(15:0/0:0/0:0) | HMDB: HMDB0011563 LipidMAPS: LMGP01050150 |
| C18H36O4 | 316.26136 | 2.076 | Dihydroxystearic acid | HMDB: HMDB0302284 |
| C18H36O4 | 316.26136 | 2.076 | 10,11-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000144 |
| C18H36O4 | 316.26136 | 2.076 | 7,8-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000140 |
| C18H36O4 | 316.26136 | 2.076 | 12,13-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000146 |
| C18H36O4 | 316.26136 | 2.076 | 1-(2,12-dimethyltridecanoyl)-sn-glycerol | LipidMAPS: LMGP01050152 |
| C18H36O4 | 316.26136 | 2.076 | 4,14-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000175 |
| C18H36O4 | 316.26136 | 2.076 | MG(0:0/i-15:0/0:0) | HMDB: HMDB0072849 |
| C18H36O4 | 316.26136 | 2.076 | 9,10-Dihydroxystearic acid | HMDB: HMDB0059633, HMDB0302281, [-1]HMDB0303981 KEGG: C19622, C08314, C15988 KNApSAcK: C00000392, C00001214 LipidMAPS: LMFA01050527, LMFA02000007, LMFA02000008, LMFA02000142, LMFA02000238 |
| C18H36O4 | 316.26136 | 2.076 | 6,7-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000139 |
| C18H36O4 | 316.26136 | 2.076 | 8,9-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000141 |
| C18H36O4 | 316.26136 | 2.076 | 9,14-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000176 |
| C18H36O4 | 316.26136 | 2.076 | MG(a-15:0/0:0/0:0)[rac] | HMDB: HMDB0072865 |
| C18H36O4 | 316.26136 | 2.076 | MG(0:0/15:0/0:0) | HMDB: HMDB0011532 |
| C18H36O4 | 316.26136 | 2.076 | 2,3-dihydroxy-octadecanoic acid | LipidMAPS: LMFA02000137 |
| C18H36O4 | 316.26136 | 2.076 | MG(i-15:0/0:0/0:0) | HMDB: HMDB0072878 LipidMAPS: LMGP01050149 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 299.25827 |
| Splash: splash10-001i-0090000000-f84efabbc79d7ebf9ecb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 281.15 | 795 | 18 | 1000 |
| 253.16 | 87 | 46 | 109 |
| 263.17 | 46 | 36 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 8-O-Methylretusin |
| 0.095 | [Isoflavone]-A(1OH)-B(2OMe) | Isoflavone | Cladrin |
| 0.095 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Afrormosin |
| 0.095 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Alfalone |
| 0.095 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | 5-O-Methylbiochanin A |
| 0.095 | [Isoflavone]-A(1OMe)-B(1OH, 1OMe) | Isoflavone | Sayanedine |
| 0.056 | [Flavonol]-A(2OMe)-B(none) | Flavonol | Galangin 5,7-dimethyl ether |
| 0.000 | [Flavone]-A(1OH)-B(2OMe) | Flavone | 7-Hydroxy-3',4'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(1OH, 1OMe) | Flavone | Tithonine |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | 5-Hydroxy-6,2'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | 5-Hydroxy-7,2'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | Apigenin 5,4'-dimethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(1OH) | Flavone | Apigenin 5,7-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | Apigenin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Baicalein 5,6-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Mosloflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Norwogonin 5,8-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Moslosooflavone |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe) | Coumestan | 8-Methoxycoumestrol |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe) | Coumestan | Trifoliol |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1OH) | Coumestan | Sativol |
| 0.000 | [Chalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH) | Chalcone | Isoneobavachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH) | 2'-Hydroxychalcone | Neobavachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Aurentiacin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 2Methyl)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(1OH, 1OMe, 2Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone | Ceroptene |
| 0.000 | [UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1Methoxycarbonylmethyl)-B(none) | UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone | Infectocaryone |
| 0.000 | [Flavanone]-A(1OMe, 1Methyl)-B(1OMe) | Flavanone | 7,4'-Dimethoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OMe, 1Methyl)-B(none) | Flavanone | 5,7-Dimethoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavanone | 6,8-Di-C-methylpinocembrin 5-methyl ether |
| 0.000 | [Flavanone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavanone | Lawinal |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavone | 8-Demethylsideroxylin |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(1OH) | Flavone | Syzalterin |
| 0.000 | [Flavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Flavone | Kanzakiflavone 2 |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(none) | Flavonol | Galangin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(none) | Flavonol | 5,7-Dihydroxy-3-methoxy-8-methylflavone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavonol | 3,5-Dihydroxy-7-methoxy-8-methylflavone |
| 0.000 | [Flavonol]-A(2OH, 2Methyl)-B(none) | Flavonol | 6,8-Dimethylgalangin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Peltogynin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Mopanin |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OMe) | 3-DehydroxyAnthocyanidin | Carajurin |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | 2-Hydroxypseudobaptigenin |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | Glyzaglabrin |
| 0.000 | [Isoflavone]-A(2OH)-B(1([@@]-Methylenedioxy)) | Isoflavone | 5-Hydroxypseudobaptigenin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irisone B |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irilone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone]-A(1OH)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone | Bowdichione |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Pterocarpin |
| 0.000 | [3-Phenylcoumarin]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | 7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(none) | 4-phenylcoumarin | Kuhlmannin |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OH) | 4-phenylcoumarin | 4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OMe) | 4-phenylcoumarin | 5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(2OH) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin |