ピーク情報
|
細ネギ （若香）地下部
pos
|
| Peak #5515 MN MID: SE201_S21_M90 |
| m/z: 413.30484, RT: 53.19, 強度: 36433, ログ強度: 0.98, 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: (26 names) Sargachromanol C;(+)-Sargachromanol C;4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene;Calcipotriol;Phyllofolactone C;(+)-Phyllofolactone C;28-nor-3-oxo-with-4-enolide;Spirosta-5,25(27)-dien-3alpha-ol;... |
| DBごとのヒット数: ALL 23 KG 1 KN 7 HM 4 LM 11 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C27H40O3 | 412.29775 | -0.440 | 4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene | HMDB: HMDB0040749 |
| C27H40O3 | 412.29775 | -0.440 | Sargachromanol C | KNApSAcK: C00042949 |
| C27H40O3 | 412.29775 | -0.440 | Calcipotriol | HMDB: HMDB0015567, HMDB0242499 LipidMAPS: LMST03020105, LMST03020106, LMST03020107, LMST03020108 |
| C27H40O3 | 412.29775 | -0.440 | Phyllofolactone C | KNApSAcK: C00049263 |
| C27H40O3 | 412.29775 | -0.440 | 28-nor-3-oxo-with-4-enolide | LipidMAPS: LMST01160007 |
| C27H40O3 | 412.29775 | -0.440 | Spirosta-5,25(27)-dien-3alpha-ol | LipidMAPS: LMST01080050 |
| C27H40O3 | 412.29775 | -0.440 | 10',11'-Didehydro-5,8,11',12'-tetrahydro-10'-apo-beta-carotene-3,5,8-triol | HMDB: HMDB0039022 KNApSAcK: C00054522 |
| C27H40O3 | 412.29775 | -0.440 | (25R)-5alpha,8alpha-epidioxy-24R,26-cyclo-cholest-6,22E-dien-3beta-ol | LipidMAPS: LMST01110018 |
| C27H40O3 | 412.29775 | -0.440 | (5alpha,25S)-3-oxocholest-1,7-dien-26-oic acid | LipidMAPS: LMST04030223 |
| C27H40O3 | 412.29775 | -0.440 | 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol | HMDB: HMDB0040765 |
| C27H40O3 | 412.29775 | -0.440 | [(13E,15E,18Z,20Z)-4-oxopentacosa-13,15,18,20-tetraen-11-ynyl] acetate | LipidMAPS: LMFA07011194 |
| C27H40O3 | 412.29775 | -0.440 | Topsentisterol A3 | KNApSAcK: C00041924 |
| C27H40O3 | 412.29775 | -0.440 | Valenciachrome | HMDB: HMDB0036849 |
| C27H40O3 | 412.29775 | -0.440 | Taondiol | KNApSAcK: C00046449, C00047928, C00049682 |
| C27H40O3 | 412.29775 | -0.440 | (5Z,7E,22E)-(3S)-3,25-dihydroxy-9,10-seco-5,7,10(19),22-cholestatetraen-24-one | LipidMAPS: LMST03020104 |
| C27H40O3 | 412.29775 | -0.440 | Testosterone cypionate | HMDB: HMDB0251641 KEGG: C08156 LipidMAPS: LMST02020074 |
| C27H40O3 | 412.29775 | -0.440 | (5Z,7E)-(1S,3R,23R)-9,10-seco-5,7,10(19),22,23-cholestapentaene-1,3,25-triol | LipidMAPS: LMST03020111, LMST03020112 |
| C27H40O3 | 412.29775 | -0.440 | (5Z,7E,23E)-(1S,3R)-9,10-seco-5,7,10(19),16,23-cholestapentaene-1,3,25-triol | LipidMAPS: LMST03020109, LMST03020110 |
| C27H40O3 | 412.29775 | -0.440 | (5Z,7E)-(1S,3R)-1,3-dihydroxy-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatrien-24-one | LipidMAPS: LMST03020103 |
| C27H40O3 | 412.29775 | -0.440 | Chabrolohydroxybenzoquinone E | KNApSAcK: C00042376 |
| C27H40O3 | 412.29775 | -0.440 | (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol | LipidMAPS: LMST03020113 |
| C27H40O3 | 412.29775 | -0.440 | Diospyrolidone | KNApSAcK: C00032911 |
| C27H40O3 | 412.29775 | -0.440 | (5Z,7E,22E,24E)-(1S,3R)-26a-homo-27-nor-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,26a-triol | LipidMAPS: LMST03020114 |
| C27H40O3 | 412.29775 | -0.440 | Valenciaxanthin | HMDB: HMDB0036848, HMDB0303571 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 413.30475 |
| Splash: splash10-00di-0090000000-327c3d3a7d1dfd7568b6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.17 | 126899 | 142 | 1000 |
| 253.26 | 36577 | 160 | 288 |
| 157.02 | 6711 | 256 | 52 |
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 |
| Level: 3, プリカーサーm/z: 271.17786 |
| Splash: splash10-0udi-0190000000-82a76d3a58da1ca7a185 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 253.24 | 74861 | 18 | 1000 |
| 121.09 | 5486 | 150 | 73 |
| 157.04 | 4365 | 114 | 58 |
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: 253.25000 |
| Splash: splash10-0a4j-0910000000-547f227a378c9930e4d4 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 157.09 | 7184 | 96 | 1000 |
| 197.15 | 4291 | 56 | 597 |
| 159.07 | 2363 | 94 | 328 |
| 225.18 | 1841 | 28 | 256 |
| 171.10 | 1832 | 82 | 254 |
| 211.12 | 1687 | 42 | 234 |
| 145.07 | 1189 | 108 | 165 |
| 173.13 | 812 | 80 | 113 |
| 183.12 | 804 | 70 | 111 |
| 143.13 | 742 | 110 | 103 |
| 185.22 | 611 | 68 | 85 |
| 135.05 | 605 | 118 | 84 |
| 169.06 | 568 | 84 | 79 |
| 130.99 | 522 | 122 | 72 |
| 161.03 | 392 | 92 | 54 |
| 109.04 | 387 | 144 | 53 |
| 224.34 | 378 | 29 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OMe)-B(none) | Flavone | 7-Methoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(none) | Flavone | 6-Methoxyflavone |
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OH)-B(none) | 2-substituted Isoflavone | 7-Hydroxy-2-methylisoflavone |