ピーク情報
|
細ネギ （若香）地下部
pos
|
| Peak #6448 MN MID: SE201_S21_M90 |
| m/z: 431.31545, RT: 60.28, 強度: 13870, ログ強度: 0.56, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (40 names) 24-Oxo-1alpha,25-dihydroxyvitamin D3;Diaulusterol B;(5Z,7E,22E)-(1S,3R,25R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25,26-tetrol;7alpha-Hydroxy-3-oxo-4-cholestenoate;2,22-Dideoxy-3-dehydroecdyson... |
| DBごとのヒット数: ALL 38 KG 7 KN 11 HM 2 LM 18 |
| FlavonoidSearch最大スコア MS2: 0.250, MS3: 0.200 |
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 |
|---|---|---|---|---|
| C27H42O4 | 430.30831 | -0.307 | 24-Oxo-1alpha,25-dihydroxyvitamin D3 | HMDB: HMDB0060128 LipidMAPS: LMST03020186 |
| C27H42O4 | 430.30831 | -0.307 | (20S,22R)-22,25-epoxy-3beta,14alpha-dihydroxy-5beta-cholest-7-en-6-one | LipidMAPS: LMST01010593 |
| C27H42O4 | 430.30831 | -0.307 | Diaulusterol B | KNApSAcK: C00039009 LipidMAPS: LMST01010547 |
| C27H42O4 | 430.30831 | -0.307 | (5Z,7E,22E)-(1S,3R,25R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25,26-tetrol | LipidMAPS: LMST03020191, LMST03020192 |
| C27H42O4 | 430.30831 | -0.307 | 7alpha-Hydroxy-3-oxo-4-cholestenoate | HMDB: HMDB0012458 KEGG: C17337 LipidMAPS: LMST04030149, LMST04030242 |
| C27H42O4 | 430.30831 | -0.307 | 2,22-Dideoxy-3-dehydroecdysone | KEGG: C16498 |
| C27H42O4 | 430.30831 | -0.307 | Australigenin | HMDB: HMDB0030066 KEGG: C08891 KNApSAcK: C00003568, C00055393 LipidMAPS: LMST01080049 |
| C27H42O4 | 430.30831 | -0.307 | Barogenin | HMDB: HMDB0034403 KEGG: C17891 KNApSAcK: C00054922, C00054923 LipidMAPS: LMST01010341 |
| C27H42O4 | 430.30831 | -0.307 | (25R)-spirost-5-en-3beta,14alpha-diol | LipidMAPS: LMST01080042 |
| C27H42O4 | 430.30831 | -0.307 | 12-epi-Deoxoscalarin | KNApSAcK: C00044419, C00049767 |
| C27H42O4 | 430.30831 | -0.307 | (25R)-spirost-5-en-3beta,17alpha-diol | LipidMAPS: LMST01080041 |
| C27H42O4 | 430.30831 | -0.307 | (25S)-3-oxo-5alpha-spirostan-6alpha-ol | LipidMAPS: LMST01080024 |
| C27H42O4 | 430.30831 | -0.307 | MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) | HMDB: HMDB0011590 |
| C27H42O4 | 430.30831 | -0.307 | 12beta,16beta,20R-trihydroxy-cholest-1,4-dien-3-one | LipidMAPS: LMST01010339 |
| C27H42O4 | 430.30831 | -0.307 | 9,10-seco-1,3,5(10),22E-cholestatetraen-3,8beta,9alpha,15beta-tetraol | LipidMAPS: LMST03020692 |
| C27H42O4 | 430.30831 | -0.307 | (5Z,7E)-(1S,3R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-18-al | LipidMAPS: LMST03020185 |
| C27H42O4 | 430.30831 | -0.307 | (5Z,7E)-(3S,23S)-3,23,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-24-one | LipidMAPS: LMST03020187 |
| C27H42O4 | 430.30831 | -0.307 | 3beta-hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al | LipidMAPS: LMST01010120 |
| C27H42O4 | 430.30831 | -0.307 | Isonarthogenin | KNApSAcK: C00050962 LipidMAPS: LMST01080063 |
| C27H42O4 | 430.30831 | -0.307 | 25-Hydroxyvitamin D3-26,23-lactol | HMDB: HMDB0060127 LipidMAPS: LMST03020188 |
| C27H42O4 | 430.30831 | -0.307 | Homaxisterol C1 | KNApSAcK: C00041592 |
| C27H42O4 | 430.30831 | -0.307 | (3S,16S,20R,24S)-16,24:20,24-diepoxycholest-5-ene-3,25-diol | LipidMAPS: LMST01010500 |
| C27H42O4 | 430.30831 | -0.307 | Nuatigenin | HMDB: HMDB0301755 KEGG: C04715 KNApSAcK: C00003581 LipidMAPS: LMST01090001 |
| C27H42O4 | 430.30831 | -0.307 | (5Z,7E)-(1S,3R)-23-oxo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol | LipidMAPS: LMST03020668 |
| C27H42O4 | 430.30831 | -0.307 | 3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-one | LipidMAPS: LMST01010261 |
| C27H42O4 | 430.30831 | -0.307 | Ruscogenin | HMDB: HMDB0257364 KEGG: C08909 KNApSAcK: C00003587 LipidMAPS: LMST01080038, LMST01080044 |
| C27H42O4 | 430.30831 | -0.307 | Hecogenin | KEGG: C08902 KNApSAcK: C00003580 LipidMAPS: LMST01080014, LMST01080025 |
| C27H42O4 | 430.30831 | -0.307 | (5Z,7E)-(1S,3R,24R,25R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol | LipidMAPS: LMST03020181, LMST03020182, LMST03020183, LMST03020184 |
| C27H42O4 | 430.30831 | -0.307 | Laxogenin | KNApSAcK: C00051222 |
| C27H42O4 | 430.30831 | -0.307 | Kuguacin E | HMDB: HMDB0302099 KNApSAcK: C00034004 |
| C27H42O4 | 430.30831 | -0.307 | 3,7-Dioxo-5alpha-cholestan-26-oic acid | LipidMAPS: LMST04030133 |
| C27H42O4 | 430.30831 | -0.307 | Lilagenin | HMDB: HMDB0303386 KNApSAcK: C00051277 LipidMAPS: LMST01080011 |
| C27H42O4 | 430.30831 | -0.307 | Furostanol-26-aldehyde | KNApSAcK: C00051951 |
| C27H42O4 | 430.30831 | -0.307 | 22S,25S-Furospirost-5-en-3beta,25-diol | LipidMAPS: LMST01090010 |
| C27H42O4 | 430.30831 | -0.307 | Sargachromanol J | KNApSAcK: C00042956 |
| C27H42O4 | 430.30831 | -0.307 | (25R)-3beta-hydroxycholest-5-en-7-one-26-oate | HMDB: HMDB0062613 LipidMAPS: LMST04030239 |
| C27H42O4 | 430.30831 | -0.307 | Schidigeragenin C | HMDB: HMDB0036249 |
| C27H42O4 | 430.30831 | -0.307 | Homaxisterol B1 | KNApSAcK: C00041590 |
| C27H42O4 | 430.30831 | -0.307 | Balsaminol D | KNApSAcK: C00052860 |
| C27H42O4 | 430.30831 | -0.307 | (5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24,25-tetrol | LipidMAPS: LMST03020189, LMST03020190 |
| C27H42O4 | 430.30831 | -0.307 | 5alpha,9alpha-epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol | LipidMAPS: LMST01010252 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 431.31491 |
| Splash: splash10-00di-0090300000-026745cb5b453f73189c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.17 | 27432 | 160 | 1000 |
| 413.26 | 13479 | 18 | 491 |
| 253.24 | 4622 | 178 | 168 |
| 395.38 | 1609 | 36 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.250 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe) | Isoflavone | Puerarin 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | Isomollupentin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | 7,4'-Di-O-Methylisomollupentin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH) | Flavone | 8-C-Rhamnosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH) | Flavone | Derhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin |
| 0.000 | [Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe) | Flavone | Alternanthin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin 4'-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) |
| Level: 3, プリカーサーm/z: 271.17010 |
| Splash: splash10-0udi-0190000000-62a991f4791aff819ce5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 253.16 | 17175 | 18 | 1000 |
| 157.13 | 1192 | 114 | 69 |
| 120.97 | 1179 | 150 | 68 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.167 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.167 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.167 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.167 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.167 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.167 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.091 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.091 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.091 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.091 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.091 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.091 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.091 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.077 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.077 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.077 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.077 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.077 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.077 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.077 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.071 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.071 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.071 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.071 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.071 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.071 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.071 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.053 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 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 |
| Level: 3, プリカーサーm/z: 413.25601 |
| Splash: splash10-00di-0090000000-67e1f209ccfb9e714758 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.19 | 6992 | 142 | 1000 |
| 253.17 | 897 | 160 | 128 |
| 395.39 | 440 | 18 | 62 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(C-Prenyl)) | Flavonol | Viscosol |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,3,4-Trihydroxyphenyl))]-A(1OH)-B(2OH) | 4-substituted Flavan 3-ol | 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(2OMe) | Rotenone | Dihydroamorphigenin |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe) | Rotenone | Dalpanol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyrot-2'-enonic acid |