ピーク情報
|
＜香辛料類＞こしょう 黒 粉
pos
|
| Peak #1314 MN MID: SE122_S170631_M90 |
| m/z: 349.14913, RT: 34.81, 強度: 1577, ログ強度: -0.74, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 15 |
| DB検索結果: (7 names) Deutziol;3,4-Dihydroaucubin;Phyllaemblic acid B;(+)-Phyllaemblic acid B;Angeloside;Ajugol;Porfiromycin |
| DBごとのヒット数: ALL 6 KG 1 KN 4 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.071, MS3: 0.154 |
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 |
|---|---|---|---|---|
| C15H24O9 | 348.14203 | -0.511 | Deutziol | KNApSAcK: C00010538 |
| C15H24O9 | 348.14203 | -0.511 | 3,4-Dihydroaucubin | KNApSAcK: C00036513 |
| C15H24O9 | 348.14203 | -0.511 | Phyllaemblic acid B | KNApSAcK: C00046299 |
| C15H24O9 | 348.14203 | -0.511 | Angeloside | KNApSAcK: C00031598 |
| C15H24O9 | 348.14203 | -0.511 | Ajugol | HMDB: HMDB0248074 KEGG: C17011 KNApSAcK: C00010600 |
| C16H20O5N4 | 348.14337 | -4.352 | Porfiromycin | HMDB: HMDB0256703 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 349.14914 |
| Splash: splash10-005i-0973000000-80813544c6673261aabe |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 126.93 | 1249 | 222 | 1000 |
| 288.88 | 736 | 60 | 589 |
| 330.91 | 429 | 18 | 343 |
| 271.01 | 358 | 78 | 286 |
| 247.21 | 319 | 102 | 255 |
| 112.07 | 266 | 237 | 213 |
| 186.94 | 223 | 162 | 178 |
| 109.03 | 222 | 240 | 177 |
| 332.17 | 200 | 17 | 160 |
| 285.00 | 127 | 64 | 101 |
| 331.51 | 97 | 18 | 77 |
| 113.12 | 91 | 236 | 72 |
| 235.94 | 90 | 113 | 72 |
| 276.25 | 81 | 73 | 64 |
| 263.31 | 79 | 86 | 63 |
| 303.24 | 74 | 46 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.095 | [Dihydroflavonol]-A(2OH)-B(1OH, 2OMe) | Dihydroflavonol | Dihydrosyringetin |
| 0.053 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone |
| 0.053 | [Dihydroflavonol]-A(1OH, 2OMe)-B(2OH) | Dihydroflavonol | Dihydrogossypetin 7,8-dimethyl ether |
| 0.050 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavan 3-ol | Gallocatechin 7,3',5'-trimethyl ether |
| 0.034 | [Flavonol]-A(3OH)-B(2OH, 1OMe) | Flavonol | 3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone |
| 0.034 | [Flavonol]-A(2OH, 1OMe)-B(3OH) | Flavonol | Hibiscetin 8-methyl ether |
| 0.034 | [Flavonol]-A(4OH)-B(1OH, 1OMe) | Flavonol | 3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone |
| 0.000 | [Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Coumestan | Tuberostan |
| 0.000 | [Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Machaerol C |
| 0.000 | [Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | 6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone |
| 0.000 | [Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none) | Flavone | trans-Anhydrotephrostachin |
| 0.000 | [Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH) | Dihydroflavonol | 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH) | 4-substituted Flavan 3-ol | Dryopteric acid |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Calopogoniumisoflavone B |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erybraedin E |
| Level: 3, プリカーサーm/z: 126.92819 |
| Splash: splash10-0a4j-9700000000-554832f03863acbf7444 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 108.86 | 87 | 18 | 1000 |
| 98.90 | 75 | 28 | 857 |
| 80.86 | 16 | 46 | 178 |
| 84.93 | 7 | 42 | 77 |
| 70.84 | 7 | 56 | 74 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 288.87506 |
| Splash: splash10-00b9-0960000000-ba4cd248d6c0e6d20e57 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 126.85 | 26 | 162 | 1000 |
| 271.42 | 21 | 17 | 806 |
| 187.02 | 10 | 102 | 376 |
| 207.87 | 4 | 81 | 159 |
| 272.27 | 3 | 17 | 129 |
| 462.08 | 3 | -173 | 108 |
| 103.32 | 2 | 186 | 89 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.154 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.143 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.133 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.133 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.133 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.133 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.133 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.133 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Isocarthamidin |
| 0.118 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.118 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.118 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.111 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 0.111 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.111 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.100 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.100 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.067 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OH, 1OMe) | Dihydrochalcone | Loureirin D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | Asebogenin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(2OH) | Dihydrochalcone | Dihydrocalythropsin |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1OMe) | Dihydrochalcone | 4,2',4'-Trihydroxy-3-methoxydihydrochalcone |
| 0.000 | [Auronol]-A(1OH)-B(2OH) | Auronol | 2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone |
| 0.000 | [Auronol]-A(2OH)-B(1OH) | Auronol | Maesopsin |
| 0.000 | [alpha-Hydroxychalcone]-A(2OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',4',alpha-Pentahydroxychalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone alpha-ol | 4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe) | Dihydrochalcone alpha-ol | 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(1OH) | 2-Hydroxyflavanone | 2,5,7,4'-Tetrahydroxyflavanone |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | Cyanomaclurin |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 1OMe) | Flavan | 7,3',5'-Trihydroxy-4'-methoxyflavan |