ピーク情報
|
れんこん 根茎 生
pos
|
| Peak #1657 MN MID: SE116_S063171_M90 |
| m/z: 450.19671, RT: 34.13, 強度: 3551, ログ強度: -0.12, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 25 |
| DB検索結果: (6 names) Benzyl gentiobioside;Osmanthuside H;(-)-Osmanthuside H;Zizybeoside I;;8-O-Acetylmussaenoside |
| DBごとのヒット数: ALL 5 KG 1 KN 3 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.042 |
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 |
|---|---|---|---|---|
| C19H28O11 | 432.16316 | -0.637 | Benzyl gentiobioside | HMDB: HMDB0041515 KNApSAcK: C00053974 |
| C19H28O11 | 432.16316 | -0.637 | Osmanthuside H | KNApSAcK: C00030899 |
| C19H28O11 | 432.16316 | -0.637 | Zizybeoside I | HMDB: HMDB0034954 KEGG: C17564 KNApSAcK: C00032551 |
| C19H28O11 | 432.16316 | -0.637 | LipidMAPS: LMPR0102070053, LMPR0102070054 |
|
| C19H28O11 | 432.16316 | -0.637 | 8-O-Acetylmussaenoside | KNApSAcK: C00036667 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 450.19504 |
| Splash: splash10-00di-0094000000-dd7051c36a4775287c38 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 270.93 | 1971 | 179 | 1000 |
| 324.95 | 1950 | 125 | 989 |
| 252.83 | 929 | 197 | 471 |
| 217.05 | 288 | 233 | 146 |
| 270.24 | 258 | 180 | 130 |
| 235.12 | 193 | 215 | 97 |
| 432.91 | 152 | 17 | 77 |
| 160.89 | 144 | 289 | 73 |
| 162.92 | 132 | 287 | 66 |
| 288.60 | 131 | 162 | 66 |
| 171.07 | 103 | 279 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 324.94815 |
| Splash: splash10-03du-0960000000-fb356f704e948ed716a5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 162.87 | 136 | 162 | 1000 |
| 289.01 | 108 | 36 | 793 |
| 144.94 | 89 | 180 | 653 |
| 271.00 | 66 | 54 | 486 |
| 126.90 | 30 | 198 | 224 |
| 252.77 | 10 | 72 | 74 |
| 258.69 | 8 | 66 | 55 |
| 306.37 | 8 | 19 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.042 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.000 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.000 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 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: 270.92935 |
| Splash: splash10-0ugl-0390000000-bf669624244c9f1ad5d7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 252.99 | 10 | 18 | 1000 |
| 127.18 | 5 | 144 | 525 |
| 234.36 | 5 | 37 | 522 |
| 240.95 | 5 | 30 | 501 |
| 108.90 | 5 | 162 | 473 |
| 235.12 | 3 | 36 | 290 |
| 96.78 | 2 | 174 | 177 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.067 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.067 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.067 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.067 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.067 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.067 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.067 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.059 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.059 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.059 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.059 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.059 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.059 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.059 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.059 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.059 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.059 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.059 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.059 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.059 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.059 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.059 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.056 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.056 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.056 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.056 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.056 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.056 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.056 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.043 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.042 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OMe) | Pterocarpan | Medicarpin |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1OH) | Pterocarpan | Isomedicarpin |
| 0.000 | [Aurone]-A(1OH)-B(2OH) | Aurone | Sulfuretin |
| 0.000 | [Aurone]-A(2OH)-B(1OH) | Aurone | 4,6,4'-Trihydroxyaurone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(1OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Methyllucidone |
| 0.000 | [UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone]-A(3Methyl)-B(none) | UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone | 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Strobopinin |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Cryptostrobin |
| 0.000 | [Flavan]-A(1OMe, 1Methyl)-B(1OH) | Flavan | 4'-Hydroxy-7-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Flavan | 7-Hydroxy-3',4'-methylenedioxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(none) | Flavan | Tephrowatsin E |
| 0.000 | [Flavan]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavan | 7-Hydroxy-5-methoxy-6-methylflavan |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(2OH) | 3-DehydroxyAnthocyanidin | Luteolinidin |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1OMe) | isoflavene | Haginin B |
| 0.000 | [2-Phenylbenzofuran]-A(1OMe)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Vignafuran |
| 0.000 | [2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH) | 2-Phenylbenzofuran | 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(none) | Dalbergiquinol | 5-Hydroxy-2,4-dimethoxydalbergiquinol |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4'-Hydroxy-4-methoxydalbergione |