ピーク情報
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イネ 葉 ニッポンバレ
pos
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| Peak #1134 MN MID: SE199_S41_M90 |
| m/z: 415.09991, RT: 13.64, 強度: 37151, ログ強度: 0.98, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 5 |
| DB検索結果: (19 names) Euphroside;loganate;Cachineside V;Tecomoside;6beta-Dihydrocornic acid;4-Methylantirrhinoside;;Junipetrioloside B;Vebraside;Tuliposide D;9-Hydroxysemperoside;(1x,2x)-Guaiacylglycerol 2-glucoside;(1RS,2... |
| DBごとのヒット数: ALL 18 KG 2 KN 13 HM 3 |
| FlavonoidSearch最大スコア MS2: 0.032, MS3: 0.100 |
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 |
|---|---|---|---|---|
| C16H24O10 | 376.13695 | -0.533 | Euphroside | KNApSAcK: C00010508 |
| C16H24O10 | 376.13695 | -0.533 | Loganate | HMDB: HMDB0247433, [-1]HMDB0304409 KEGG: C01512, C11661 KNApSAcK: C00010604, C00029601, C00033820, C00036652 LipidMAPS: LMPR01020138 |
| C16H24O10 | 376.13695 | -0.533 | Cachineside V | KNApSAcK: C00010506 |
| C16H24O10 | 376.13695 | -0.533 | Tecomoside | KNApSAcK: C00010710 |
| C16H24O10 | 376.13695 | -0.533 | 6beta-Dihydrocornic acid | KNApSAcK: C00036611 |
| C16H24O10 | 376.13695 | -0.533 | 4-Methylantirrhinoside | KNApSAcK: C00010614 |
| C16H24O10 | 376.13695 | -0.533 | KNApSAcK: C00010472 |
|
| C16H24O10 | 376.13695 | -0.533 | Junipetrioloside B | KNApSAcK: C00036329, C00041025 |
| C16H24O10 | 376.13695 | -0.533 | Tuliposide D | KNApSAcK: C00040581 |
| C16H24O10 | 376.13695 | -0.533 | Vebraside | KNApSAcK: C00010725 |
| C16H24O10 | 376.13695 | -0.533 | (1x,2x)-Guaiacylglycerol 2-glucoside | HMDB: HMDB0033301 |
| C16H24O10 | 376.13695 | -0.533 | 9-Hydroxysemperoside | KNApSAcK: C00010681 |
| C16H24O10 | 376.13695 | -0.533 | (1RS,2RS)-Guaiacylglycerol 1-glucoside | HMDB: HMDB0033300 |
| C16H24O10 | 376.13695 | -0.533 | Mussaenosidic acid | KNApSAcK: C00010629 |
| C16H24O10 | 376.13695 | -0.533 | (1x,2x)-Guaiacylglycerol 3-glucoside | HMDB: HMDB0040600 |
| C16H24O10 | 376.13695 | -0.533 | 6-O-Methyl catalpol | KNApSAcK: C00010518 |
| C21H20ON4S | 376.13578 | 2.564 | Shermilamine D | KNApSAcK: C00029009 |
| C17H20O6N4 | 376.13828 | -4.088 | Riboflavin | HMDB: HMDB0000244, HMDB0247501 KEGG: C00255 KNApSAcK: C00001552 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 415.09998 |
| Splash: splash10-0002-0149000000-a0f714e80ff1a4a4cf64 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 397.13 | 794 | 18 | 1000 |
| 253.22 | 366 | 162 | 460 |
| 231.14 | 159 | 184 | 200 |
| 312.37 | 145 | 103 | 182 |
| 398.20 | 103 | 17 | 129 |
| 268.08 | 99 | 147 | 125 |
| 117.86 | 91 | 297 | 114 |
| 325.44 | 78 | 90 | 98 |
| 292.37 | 76 | 123 | 95 |
| 336.37 | 72 | 79 | 90 |
| 132.96 | 71 | 282 | 88 |
| 353.26 | 67 | 62 | 84 |
| 369.62 | 66 | 45 | 83 |
| 277.04 | 54 | 138 | 67 |
| 199.37 | 51 | 216 | 64 |
| 348.99 | 43 | 66 | 54 |
| 182.92 | 41 | 232 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.032 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe) | Flavanone | Heteroflavanone C |
| 0.027 | [Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe) | Flavanone | Laxiflorin |
| 0.000 | [Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH) | Flavanone | Kanzonol S |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH) | Flavone | 3'-Deoxyderhamnosylmaysin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH) | Flavone | Pinnatifinoside A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH) | Flavone | Aciculatin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH) | 4-substituted Flavan 3-ol | Prodelphinidin B6 |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe) | 12a-Hydroxyrotenone | Volubinol |
| Level: 3, プリカーサーm/z: 397.17648 |
| Splash: splash10-001i-0918000000-58dd0736462ab527c34f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 381.82 | 54 | 15 | 1000 |
| 155.12 | 26 | 242 | 474 |
| 194.99 | 23 | 202 | 423 |
| 284.03 | 11 | 113 | 205 |
| 185.94 | 10 | 211 | 189 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | 2'-Hydroxychalcone | Glabrachalcone |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Ponganone VI |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Glychalcone B |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone |
| 0.067 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone IV |
| 0.067 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Glyflavanone B |
| 0.042 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Elongatin |
| 0.040 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Pumilaisoflavone D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Ovalichalcone A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone B |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 2Methyl) | Flavone | Muxiangrin III |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artoindonesianin S |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin L |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | 8-C-Methylvelloquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 2OMe) | Isoflavone | 5,4'-Dihydroxy-3',5'-dimethoxy-(5''-Isopropenyldihydrofurano)[2'',3'':7,6]isoflavone |
| 0.000 | [Pterocarpan]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neoraucarpan |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1OH, 1OMe) | Rotenone | 3-O-Demethylamorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | Rotenone | Rotenonic acid |
| 0.000 | [4-Benzoylchroman]-A(2OMe)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | 4-Benzoylchroman | Rotenol |