ピーク情報
|
細ネギ （若香）地下部
pos
|
| Peak #3463 MN MID: SE201_S21_M90 |
| m/z: 625.36051, RT: 43.46, 強度: 57354, ログ強度: 1.18, 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: (8 names) 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one;3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one;Simplexin E;(+)-Simplexin E;Caribenol... |
| DBごとのヒット数: ALL 7 KG 1 KN 1 LM 5 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.250 |
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 |
|---|---|---|---|---|
| C33H52O11 | 624.35096 | 3.635 | 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one | LipidMAPS: LMST01010432 |
| C33H52O11 | 624.35096 | 3.635 | 3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one | LipidMAPS: LMST02030217 |
| C33H52O11 | 624.35096 | 3.635 | Simplexin E | KNApSAcK: C00047572 |
| C33H52O11 | 624.35096 | 3.635 | Caribenolide I | KEGG: C20007 |
| C33H52O11 | 624.35096 | 3.635 | (3beta, 5beta)-pregn-16(17)-en-3-ol-20-one 3-O-alpha-l-rhamnopyranosyl-(1-4)-beta-d-glucopyranoside | LipidMAPS: LMST02030244 |
| C33H52O11 | 624.35096 | 3.635 | (3beta, 5beta)-pregn-16(17)-en-3-ol-20-one 3-O-alpha-l-rhamnopyranosyl-(1-2)-beta-d-glucopyranoside | LipidMAPS: LMST02030245 |
| C33H52O11 | 624.35096 | 3.635 | 3-O-(Rhaa1-4Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one | LipidMAPS: LMST02030218 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 625.35938 |
| Splash: splash10-03di-0002900000-5b263a8cd46a689345a2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 463.32 | 80981 | 162 | 1000 |
| 319.18 | 23110 | 306 | 285 |
| 283.28 | 4942 | 342 | 61 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe) | Flavone | Stellarin 2 |
| 0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe) | Flavone | 6,8-Di-C-glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-(E)-ferulate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH) | Flavone | 2''-O-Feruloylorientin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH) | Flavone | Orientin 6''-O-ferulate |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | 3-substituted Flavone | 3,8-Di-C-glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6-C-Glucopyranosyl-8-C-arabinopyranosyltricin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6-C-Arabinopyranosyl-8-C-glucopyranosyltricin |
| Level: 3, プリカーサーm/z: 463.35077 |
| Splash: splash10-014i-0019000000-5f496c2e3ac88f2a4e1c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 319.19 | 46226 | 144 | 1000 |
| 283.19 | 8116 | 180 | 175 |
| 301.19 | 6809 | 162 | 147 |
| 313.26 | 3202 | 150 | 69 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(4OMe)-B(4OMe) | Flavone | Agehoustin A |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Isoscoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 6-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Swertiajaponin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Scoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 8-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Parkinsonin A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Isoswertiajaponin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Flavonol | Keyakinin |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Isoflavone | Dalpanitin |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 3(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Helilupolone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(2OH) | Flavonol | 6-C-Rhamnopyranosylrhamnetin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Exoticin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Purpurascenin |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol E |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol Q |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (3',4'-Dihydroxy)]-A(1OH)-B(1OH, 2OMe) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin | Malvidin 4-vinylcatechol |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b3 |
| Level: 3, プリカーサーm/z: 319.19507 |
| Splash: splash10-0f89-0095000000-2954bb279d18d55b147b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 283.20 | 10953 | 36 | 1000 |
| 301.28 | 6931 | 18 | 632 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin 3-methyl ether |
| 0.200 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone |
| 0.200 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 8-Methoxyfustin |
| 0.200 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone |
| 0.200 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Taxifolin 5-methyl ether |
| 0.200 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Padmatin |
| 0.200 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone |
| 0.200 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 4'-methyl ether |
| 0.200 | [Dihydroflavonol]-A(1OH)-B(2OH, 1OMe) | Dihydroflavonol | Sepinol |
| 0.167 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,3'-dimethyl ether |
| 0.167 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 7,4'-dimethyl ether |
| 0.167 | [Flavan 3-ol]-A(2OH)-B(2OMe) | Flavan 3-ol | Catechin 3',4'-dimethyl ether |
| 0.125 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone |
| 0.125 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Dihydroisorhamnetin |
| 0.083 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,6,7,3',4',5'-Hexahydroxyflavone |
| 0.083 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,7,8,3',4',5'-Hexahydroxyflavone |
| 0.083 | [Flavone]-A(4OH)-B(2OH) | Flavone | Bitalgenin |
| 0.083 | [Anthocyanidin]-A(3OH)-B(3OH) | Anthocyanidin | 6-Hydroxydelphinidin |
| 0.083 | [Flavanone]-A(3OH)-B(1OH, 1OMe) | Flavanone | 8-Hydroxyhesperetin |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 6-Methoxyeriodictyol |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxyeriodictyol |
| 0.053 | [Flavonol]-A(4OH)-B(1OH) | Flavonol | 3,5,6,7,8,4'-Hexahydroxyflavone |
| 0.053 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Quercetagetin |
| 0.053 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Gossypetin |
| 0.053 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,8,3',4',5'-Hexahydroxyflavone |
| 0.053 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | Myricetin |
| 0.053 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 5'-Hydroxymorin |
| 0.053 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,7,2',3',4'-Hexahydroxyflavone |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | Bryaflavan |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | 8-Demethylduartin |
| 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 |