ピーク情報
|
＜いも類＞（さつまいも類） さつまいも 塊根 皮むき 生
pos
|
| Peak #2937 MN MID: SE122_S020061_M90 |
| m/z: 325.23738, RT: 85.83, 強度: 3188, ログ強度: 0.05, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| DB検索結果: (16 names) 2,4-dihydroxy-12E-heptadecen-16-yn-1-yl-acetate;Decylubiquinol;6-Decylubiquinol;2-Decyl-5,6-dimethoxy-3-methyl-1,4-benzenediol;1-O-(16-hydroxy-hexadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol;(-)-Pironetin;NK ... |
| DBごとのヒット数: ALL 9 KG 2 KN 2 LM 5 |
| FlavonoidSearch最大スコア MS2: 0.182, MS3: 0.200 |
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 |
|---|---|---|---|---|
| C19H32O4 | 324.23006 | 0.139 | 2,4-dihydroxy-12E-heptadecen-16-yn-1-yl-acetate | LipidMAPS: LMFA05000714 |
| C19H32O4 | 324.23006 | 0.139 | Decylubiquinol | KEGG: C15495 |
| C19H32O4 | 324.23006 | 0.139 | 1-O-(16-hydroxy-hexadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol | LipidMAPS: LMGL01030007 |
| C19H32O4 | 324.23006 | 0.139 | Annosquamosin G | KNApSAcK: C00045647 |
| C19H32O4 | 324.23006 | 0.139 | (-)-Pironetin | KNApSAcK: C00016637 |
| C19H32O4 | 324.23006 | 0.139 | methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate | LipidMAPS: LMFA01040039 |
| C19H32O4 | 324.23006 | 0.139 | methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate | LipidMAPS: LMFA01040038 |
| C19H32O4 | 324.23006 | 0.139 | 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one | HMDB: HMDB0031007 LipidMAPS: LMFA05000595 |
| C19H32O4 | 324.23006 | 0.139 | Dihydromonacolin L acid | KEGG: C20851 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 325.23709 |
| Splash: splash10-0693-0091000000-0fae6bcb69e8a165c3ba |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 275.20 | 2752 | 50 | 1000 |
| 269.14 | 2328 | 56 | 845 |
| 307.19 | 1686 | 18 | 612 |
| 293.14 | 1535 | 32 | 557 |
| 268.24 | 640 | 57 | 232 |
| 257.18 | 327 | 68 | 118 |
| 239.09 | 280 | 86 | 101 |
| 187.02 | 248 | 138 | 90 |
| 217.06 | 155 | 108 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.182 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.182 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.150 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.150 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.150 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.150 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.130 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.130 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.130 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.130 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.111 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.111 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.111 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Chalcone | Crotmadine |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin E |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dorsmanin A |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none) | Dihydrochalcone | 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
| 0.000 | [Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | 7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone |
| 0.000 | [Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe) | Isoflavanone | Neoraunone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavan | Crotmarine |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Glabridin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Phaseollinisoflavan |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe) | Pterocarpan | Ambonane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Neobanol |
| Level: 3, プリカーサーm/z: 269.13730 |
| Splash: splash10-03di-0090000000-60f51d2dc8c5199e2405 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 213.18 | 994 | 56 | 1000 |
| 212.20 | 377 | 57 | 379 |
| 253.13 | 69 | 16 | 68 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Flavone]-A(1OMe)-B(1OH) | Flavone | Isopratol |
| 0.200 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | Trigraecum |
| 0.200 | [Flavone]-A(1OH)-B(1OMe) | Flavone | 5-Hydroxy-2'-methoxyflavone |
| 0.200 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | 5-Hydroxy-6-methoxyflavone |
| 0.200 | [Flavone]-A(1OH)-B(1OMe) | Flavone | 6-Hydroxy-4'-methoxyflavone |
| 0.200 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | Tectochrysin |
| 0.167 | [Coumestan]-A(1OH)-B(1OH) | Coumestan | Coumestrol |
| 0.063 | [Flavonol]-A(none)-B(1OMe) | Flavonol | 3-Hydroxy-4'-methoxyflavone |
| 0.053 | [Isoflavone]-A(1OH)-B(1OMe) | Isoflavone | Formononetin |
| 0.053 | [Isoflavone]-A(1OH)-B(1OMe) | Isoflavone | Pallidiflorin |
| 0.053 | [Isoflavone]-A(1OMe)-B(1OH) | Isoflavone | Isoformononetin |
| 0.053 | [Isoflavone]-A(1OH, 1OMe)-B(none) | Isoflavone | 5-Hydroxy-7-methoxyisoflavone |
| 0.000 | [Aurone]-A(1OH, 1Methyl)-B(1OH) | Aurone | 6,4'-Dihydroxy-7-methylaurone |
| 0.000 | [Flavanone]-A(1OH, 2Methyl)-B(none) | Flavanone | 7-Hydroxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavone]-A(2OH, 1Methyl)-B(none) | Flavone | Strobochrysin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(none) | 4-phenylcoumarin | Dalbergin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(none) | 4-phenylcoumarin | Isodalbergin |
| Level: 3, プリカーサーm/z: 275.19894 |
| Splash: splash10-0a4i-0960000000-f8131f51d8e02385969d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.22 | 247 | 18 | 1000 |
| 239.19 | 167 | 36 | 677 |
| 173.09 | 124 | 102 | 500 |
| 159.09 | 69 | 116 | 278 |
| 147.05 | 66 | 128 | 265 |
| 145.01 | 65 | 130 | 262 |
| 157.00 | 60 | 118 | 242 |
| 197.08 | 50 | 78 | 203 |
| 143.13 | 43 | 132 | 174 |
| 133.06 | 42 | 142 | 168 |
| 183.11 | 38 | 92 | 153 |
| 171.16 | 36 | 104 | 145 |
| 205.07 | 34 | 70 | 139 |
| 161.07 | 32 | 114 | 129 |
| 121.03 | 28 | 154 | 111 |
| 169.01 | 26 | 106 | 104 |
| 215.06 | 25 | 60 | 103 |
| 104.97 | 24 | 170 | 98 |
| 232.97 | 21 | 42 | 85 |
| 229.18 | 20 | 46 | 82 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.042 | [Flavan 3-ol]-A(2OH)-B(1OH) | Flavan 3-ol | Afzelechin |
| 0.042 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | Fisetinidol |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OH) | Dihydrochalcone | Phloretin |
| 0.000 | [Auronol]-A(none)-B(1Cl) | Auronol | 4'-Chloro-2-hydroxyaurone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OH) | Dihydrochalcone alpha-ol | 4,2',4',alpha-Tetrahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(1OH) | Dihydrochalcone beta-ol | 4,2',4',beta-Tetrahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(1OH) | Flavan 4-ol | Apifero |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,4'-Tetrahydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(2OH) | Flavan | 5,7,3',4'-Tetrahydroxyflavan |