ピーク情報
|
ヒメツリガネゴケ 茎葉体（ガメトフォア）
pos
|
| Peak #2587 MN MID: SE205_S04_M90 |
| m/z: 378.18455, RT: 43.31, 強度: 15051, ログ強度: 0.76, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: Chisitine 1 |
| DBごとのヒット数: ALL 1 KN 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.077 |
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 |
|---|---|---|---|---|
| C19H27O3N3S | 377.17731 | -0.115 | Chisitine 1 | KNApSAcK: C00028047 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 378.18372 |
| Splash: splash10-00di-0092000000-59237765e41fb5d5622a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.11 | 42301 | 107 | 1000 |
| 319.13 | 16250 | 59 | 384 |
| 243.09 | 12287 | 135 | 290 |
| 291.13 | 6457 | 87 | 152 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 271.10864 |
| Splash: splash10-004i-0090000000-b879a4216504d3a0b122 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 225.09 | 19548 | 46 | 1000 |
| 243.18 | 2903 | 28 | 148 |
| 197.09 | 1249 | 74 | 63 |
| 198.11 | 1046 | 73 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.250 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.250 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.250 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.250 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.250 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.250 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.250 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.231 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.231 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.231 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.231 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.231 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.231 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.231 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.182 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.167 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.158 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.154 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.154 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.111 | [Pterocarpan]-A(1OH)-B(1OMe) | Pterocarpan | Medicarpin |
| 0.111 | [Pterocarpan]-A(1OMe)-B(1OH) | Pterocarpan | Isomedicarpin |
| 0.000 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.000 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 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 |
| Level: 3, プリカーサーm/z: 319.13321 |
| Splash: splash10-00di-0090000000-cddaa6ab80ad94f521d8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.13 | 14942 | 48 | 1000 |
| 291.14 | 1288 | 28 | 86 |
| 243.10 | 807 | 76 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,6,7,3',4',5'-Hexahydroxyflavone |
| 0.077 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,7,8,3',4',5'-Hexahydroxyflavone |
| 0.077 | [Flavone]-A(4OH)-B(2OH) | Flavone | Bitalgenin |
| 0.077 | [Anthocyanidin]-A(3OH)-B(3OH) | Anthocyanidin | 6-Hydroxydelphinidin |
| 0.050 | [Flavonol]-A(4OH)-B(1OH) | Flavonol | 3,5,6,7,8,4'-Hexahydroxyflavone |
| 0.050 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Quercetagetin |
| 0.050 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Gossypetin |
| 0.050 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,8,3',4',5'-Hexahydroxyflavone |
| 0.050 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | Myricetin |
| 0.050 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 5'-Hydroxymorin |
| 0.050 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,7,2',3',4'-Hexahydroxyflavone |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin 3-methyl ether |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Dihydroisorhamnetin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 8-Methoxyfustin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Taxifolin 5-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Padmatin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 4'-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH)-B(2OH, 1OMe) | Dihydroflavonol | Sepinol |
| 0.000 | [Flavanone]-A(3OH)-B(1OH, 1OMe) | Flavanone | 8-Hydroxyhesperetin |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 6-Methoxyeriodictyol |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxyeriodictyol |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | Bryaflavan |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | 8-Demethylduartin |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,3'-dimethyl ether |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 7,4'-dimethyl ether |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OMe) | Flavan 3-ol | Catechin 3',4'-dimethyl ether |
| 0.000 | [UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH) | UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone | Protofarrerol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | 6-Methyltaxifolin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | Deodarin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH) | Flavan 4-ol | 4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe) | Isoflavanone-3-ol | Bolusanthin |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH) | 3-substituted 2-Phenylbenzofuran | Norwedelic acid |