ピーク情報
|
あずき 全粒 乾
pos
|
| Peak #6716 MN MID: SE122_S040011_M90 |
| m/z: 299.25837, RT: 89.58, 強度: 34769, ログ強度: 1.13, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 27 |
| DB検索結果: (42 names) 9-hydroxy-10Z-octadecenoic acid;6R,7S-epoxy-octadecanoic acid;14-oxo-octadecanoic acid;10-hydroxy-8-octadecenoic acid;10-hydroxy-12Z-octadecenoic acid;11-hydroxy-9-octadecenoic acid;11-Oxooctadecanoic... |
| DBごとのヒット数: ALL 42 KG 5 KN 1 HM 2 LM 34 |
| FlavonoidSearch最大スコア MS2: 0.053, 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 |
|---|---|---|---|---|
| C18H34O3 | 298.25079 | 1.008 | 9-hydroxy-10Z-octadecenoic acid | LipidMAPS: LMFA02000178, LMFA02000205, LMFA02000206 |
| C18H34O3 | 298.25079 | 1.008 | (6R,7S)-6,7-Epoxyoctadecanoic acid | KEGG: C13791 LipidMAPS: LMFA02000275 |
| C18H34O3 | 298.25079 | 1.008 | 14-oxo-octadecanoic acid | LipidMAPS: LMFA02000258 |
| C18H34O3 | 298.25079 | 1.008 | 10-hydroxy-8-octadecenoic acid | LipidMAPS: LMFA01031132, LMFA01031133, LMFA02000209, LMFA02000210 |
| C18H34O3 | 298.25079 | 1.008 | 10-hydroxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000345, LMFA02000346 |
| C18H34O3 | 298.25079 | 1.008 | 11-Oxooctadecanoic acid | HMDB: HMDB0030981 LipidMAPS: LMFA02000255 |
| C18H34O3 | 298.25079 | 1.008 | 11-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000211 |
| C18H34O3 | 298.25079 | 1.008 | 9,10-Epoxystearate | HMDB: HMDB0247617 KEGG: C19418 KNApSAcK: C00000391 LipidMAPS: LMFA02000001, LMFA02000002, LMFA02000326 |
| C18H34O3 | 298.25079 | 1.008 | 9-hydroxy-12-octadecenoic acid | LipidMAPS: LMFA02000149, LMFA02000179, LMFA02000207, LMFA02000208, LMFA02000292 |
| C18H34O3 | 298.25079 | 1.008 | 16-oxo-octadecanoic acid | LipidMAPS: LMFA02000260 |
| C18H34O3 | 298.25079 | 1.008 | alpha-Cycloheptaneundecanoic acid | KNApSAcK: C00000344 LipidMAPS: LMFA01140097 |
| C18H34O3 | 298.25079 | 1.008 | 8-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000203, LMFA02000204 |
| C18H34O3 | 298.25079 | 1.008 | Methyl palmoxirate | HMDB: HMDB0254605 |
| C18H34O3 | 298.25079 | 1.008 | 10-hydroxy-11E-octadecenoic acid | LipidMAPS: LMFA01050560, LMFA02000083, LMFA02000084 |
| C18H34O3 | 298.25079 | 1.008 | 7-oxo-octadecanoic acid | LipidMAPS: LMFA02000244 |
| C18H34O3 | 298.25079 | 1.008 | 8-oxo-octadecanoic acid | LipidMAPS: LMFA02000263 |
| C18H34O3 | 298.25079 | 1.008 | 5-hydroxy-2-octadecenoic acid | LipidMAPS: LMFA02000202 |
| C18H34O3 | 298.25079 | 1.008 | 13-oxo-octadecanoic acid | LipidMAPS: LMFA02000257 |
| C18H34O3 | 298.25079 | 1.008 | 17-oxo-octadecanoic acid | LipidMAPS: LMFA02000261 |
| C18H34O3 | 298.25079 | 1.008 | 6-oxo-octadecanoic acid | LipidMAPS: LMFA02000243 |
| C18H34O3 | 298.25079 | 1.008 | 3-Oxooctadecanoic acid | HMDB: HMDB0010736 LipidMAPS: LMFA02000240 |
| C18H34O3 | 298.25079 | 1.008 | 4-oxo-octadecanoic acid | LipidMAPS: LMFA02000241 |
| C18H34O3 | 298.25079 | 1.008 | 3-hydroxy-11Z-octadecenoic acid | LipidMAPS: LMFA01050421 |
| C18H34O3 | 298.25079 | 1.008 | 9-Oxooctadecanoic acid | HMDB: HMDB0030979 LipidMAPS: LMFA02000245 |
| C18H34O3 | 298.25079 | 1.008 | 12R-hydroxy13Z-octadecenoic acid | LipidMAPS: LMFA02000085, LMFA02000086, LMFA02000091, LMFA02000092 |
| C18H34O3 | 298.25079 | 1.008 | 17-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000180 |
| C18H34O3 | 298.25079 | 1.008 | 2-methyl-4-oxo-heptadecanoic acid | LipidMAPS: LMFA02000254 |
| C18H34O3 | 298.25079 | 1.008 | 5-Oxooctadecanoic acid | HMDB: HMDB0034074 LipidMAPS: LMFA02000242 |
| C18H34O3 | 298.25079 | 1.008 | 2-Oxooctadecanoic acid | KEGG: C00869 LipidMAPS: LMFA02000262 |
| C18H34O3 | 298.25079 | 1.008 | 16-methyl-10-oxo-heptadecanoic acid | LipidMAPS: LMFA02000253 |
| C18H34O3 | 298.25079 | 1.008 | 2-Hydroxy-9Z-hexadecenoic acid | LipidMAPS: LMFA01050540, LMFA02000056 |
| C18H34O3 | 298.25079 | 1.008 | 12-oxo-octadecanoic acid | LipidMAPS: LMFA02000256 |
| C18H34O3 | 298.25079 | 1.008 | 13S-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000412 |
| C18H34O3 | 298.25079 | 1.008 | 12R-hydroxy10E-octadecenoic acid | LipidMAPS: LMFA02000089, LMFA02000090, LMFA02000177 |
| C18H34O3 | 298.25079 | 1.008 | 5-Hexyltetrahydro-2-furanoctanoic acid | HMDB: HMDB0031127 |
| C18H34O3 | 298.25079 | 1.008 | 10-Oxooctadecanoic acid | HMDB: HMDB0030980 LipidMAPS: LMFA02000246 |
| C18H34O3 | 298.25079 | 1.008 | 13-hydroperoxy-14E-octadecenoic acid | LipidMAPS: LMFA02000098 |
| C18H34O3 | 298.25079 | 1.008 | 9-hydroxy-11Z-Octadecenoic acid | LipidMAPS: LMFA02000309 |
| C18H34O3 | 298.25079 | 1.008 | 13R-hydroxy11E-octadecenoic acid | LipidMAPS: LMFA02000093, LMFA02000094 |
| C18H34O3 | 298.25079 | 1.008 | 18-Hydroxyoleate | HMDB: [-1]HMDB0304033 KEGG: C19616 KNApSAcK: C00007439 LipidMAPS: LMFA02000181 |
| C18H34O3 | 298.25079 | 1.008 | Ricinoleic acid | HMDB: HMDB0034297, HMDB0242322 KEGG: C08365 KNApSAcK: C00001237 LipidMAPS: LMFA02000150, LMFA02000184, LMFA02000212, LMFA02000213, LMFA02000214 |
| C18H34O3 | 298.25079 | 1.008 | 15-oxo-octadecanoic acid | LipidMAPS: LMFA02000259 |
| C18H34O3 | 298.25079 | 1.008 | 11R-hydroxy12Z-octadecenoic acid | LipidMAPS: LMFA02000087, LMFA02000088, LMFA02000095, LMFA02000096, LMFA02000372 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 299.25781 |
| Splash: splash10-001i-0090000000-078f8de2519701c4516f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 281.17 | 19446 | 18 | 1000 |
| 263.23 | 7101 | 36 | 365 |
| 245.20 | 1187 | 54 | 61 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.053 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 8-O-Methylretusin |
| 0.045 | [Isoflavone]-A(1OH)-B(2OMe) | Isoflavone | Cladrin |
| 0.045 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Afrormosin |
| 0.045 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Alfalone |
| 0.045 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | 5-O-Methylbiochanin A |
| 0.045 | [Isoflavone]-A(1OMe)-B(1OH, 1OMe) | Isoflavone | Sayanedine |
| 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 | [Flavonol]-A(2OMe)-B(none) | Flavonol | Galangin 5,7-dimethyl ether |
| 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 |
| Level: 3, プリカーサーm/z: 281.16977 |
| Splash: splash10-03di-0190000000-c9dbb85313df43483c76 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.24 | 4592 | 18 | 1000 |
| 245.25 | 2281 | 36 | 496 |
| 179.12 | 480 | 102 | 104 |
| 165.04 | 344 | 116 | 74 |
| 193.11 | 274 | 88 | 59 |
| 221.28 | 270 | 60 | 58 |
| 149.06 | 264 | 132 | 57 |
| 111.06 | 251 | 170 | 54 |
| 97.06 | 244 | 184 | 53 |
| 207.14 | 230 | 74 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH) | Pterocarpan | Neodunol |
| Level: 3, プリカーサーm/z: 263.22583 |
| Splash: splash10-0002-1790000000-262b6c9165f06eae67f5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 245.23 | 1916 | 18 | 1000 |
| 149.05 | 318 | 114 | 166 |
| 163.10 | 251 | 100 | 130 |
| 135.02 | 199 | 128 | 103 |
| 189.17 | 194 | 74 | 101 |
| 122.97 | 181 | 140 | 94 |
| 94.98 | 160 | 168 | 83 |
| 80.92 | 138 | 182 | 72 |
| 120.96 | 132 | 142 | 69 |
| 109.06 | 112 | 154 | 58 |
| 165.07 | 100 | 98 | 52 |
| 175.21 | 98 | 88 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1([2,3:@@]-Furano))-B(none) | Aurone | Furano[2'',3'':6,7]aurone |