ピーク情報
|
細ネギ （若香）地上部
pos
|
| Peak #8298 MN MID: SE201_S11_M90 |
| m/z: 415.32059, RT: 74.71, 強度: 15705, ログ強度: 0.81, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (48 names) 1,25-Dihydroxy-16-ene-vitamin D3;(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol;(5Z,7E)-(1S,3R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol;14alpha-Hydroxy-5beta-ch... |
| DBごとのヒット数: ALL 42 KG 5 KN 10 HM 3 LM 24 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.182 |
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 |
|---|---|---|---|---|
| C27H42O3 | 414.31340 | -0.204 | 1,25-Dihydroxy-16-ene-vitamin D3 | HMDB: HMDB0244152 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020171, LMST03020639 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(1S,3R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol | LipidMAPS: LMST03020161 |
| C27H42O3 | 414.31340 | -0.204 | 14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione | KEGG: C16509 |
| C27H42O3 | 414.31340 | -0.204 | Delta4-Dafachronic acid | HMDB: [-1]HMDB0304151 KEGG: C21076, C20839 LipidMAPS: LMST04030217, LMST04030221 |
| C27H42O3 | 414.31340 | -0.204 | Calicoferol I | KNApSAcK: C00050020 LipidMAPS: LMST03020180 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(1S,3R,17S,20S)-17,20-methano-21-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol | LipidMAPS: LMST03020176, LMST03020177 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10(19),25-cholestatetraene-1,3,23-triol | LipidMAPS: LMST03020167 |
| C27H42O3 | 414.31340 | -0.204 | Kuguacin C | HMDB: HMDB0302098 KNApSAcK: C00034002 |
| C27H42O3 | 414.31340 | -0.204 | (6Z)-(3S)-3,25-dihydroxy-9,10-seco-5(10),6,8-cholestatrien-1-one | LipidMAPS: LMST03020165 |
| C27H42O3 | 414.31340 | -0.204 | Delta7-Dafachronic acid | KEGG: C21077 LipidMAPS: LMST04030218, LMST04030222 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(1S,3R)-24,25-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol | LipidMAPS: LMST03020160 |
| C27H42O3 | 414.31340 | -0.204 | 20S-Hydroxycholest-4-en-3,16-dione | LipidMAPS: LMST01010310 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E,23E)-(1S,3R)-9,10-seco-5,7,10(19),23-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020173 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol | LipidMAPS: LMST03020168, LMST03020169 |
| C27H42O3 | 414.31340 | -0.204 | Griffinisterone C | KNApSAcK: C00048722 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(3S)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-23-one | LipidMAPS: LMST03020163 |
| C27H42O3 | 414.31340 | -0.204 | (1S,3R)-9,10-seco-5(10),8-cholestadien-6-yne-1,3,25-triol | LipidMAPS: LMST03020174, LMST03020175 |
| C27H42O3 | 414.31340 | -0.204 | ((1R,2R,5R)-2-(2,6-Dimethoxy-4-(2-methyloctan-2-yl)phenyl)-7,7-dimethyl-4-bicyclo(3.1.1)hept-3-enyl) methanol | HMDB: HMDB0242225 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-3,24,25-triol | LipidMAPS: LMST03020178, LMST03020179 |
| C27H42O3 | 414.31340 | -0.204 | Cabralealactone | KNApSAcK: C00038675 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(1S,3R)-18-(3-hydroxy-3-methyl-butyl)-20-methyl-9,10-seco-5,7,10(19),20-pregnatetraen-1,3-diol | LipidMAPS: LMST03020625 |
| C27H42O3 | 414.31340 | -0.204 | Smilagenone | HMDB: HMDB0036941 LipidMAPS: LMST01080116 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(1S,3R)-24,25-epoxy-23,23-dimethyl-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol | LipidMAPS: LMST03020162 |
| C27H42O3 | 414.31340 | -0.204 | (6E)-(8S)-8,25-dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one | LipidMAPS: LMST03020166 |
| C27H42O3 | 414.31340 | -0.204 | 3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol | KEGG: C14994 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-22-one | LipidMAPS: LMST03020159 |
| C27H42O3 | 414.31340 | -0.204 | 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one | LipidMAPS: LMST01010346 |
| C27H42O3 | 414.31340 | -0.204 | 25-Hydroxy-24-oxocholecalciferol | HMDB: HMDB0245686 LipidMAPS: LMST03020164 |
| C27H42O3 | 414.31340 | -0.204 | Toonaciliatin L | KNApSAcK: C00047602 |
| C27H42O3 | 414.31340 | -0.204 | 20R,22R-dihydroxy-5alpha-campesta-1,4-dien-3-one | LipidMAPS: LMST01010504 |
| C27H42O3 | 414.31340 | -0.204 | 5alpha,9alpha-epidioxy-cholesta-6,8(14)-dien-3beta-ol | LipidMAPS: LMST01010257 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020172 |
| C27H42O3 | 414.31340 | -0.204 | Diosgenin | HMDB: HMDB0242671 KEGG: C08898, C08918 KNApSAcK: C00003576, C00003597 LipidMAPS: LMST01080037, LMST01080043, LMST01080045 |
| C27H42O3 | 414.31340 | -0.204 | 5alpha,8alpha-epidioxy-24-methyl-27-nor-cholest-6,22Z-dien-3beta-ol | LipidMAPS: LMST01031110 |
| C27H42O3 | 414.31340 | -0.204 | Griffinisterone F | KNApSAcK: C00048725 |
| C27H42O3 | 414.31340 | -0.204 | 3,8beta-dihydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one | LipidMAPS: LMST03020693 |
| C27H42O3 | 414.31340 | -0.204 | (5Z,7E)-(1S,3R)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020170 |
| C27H42O3 | 414.31340 | -0.204 | Phyllofolactone B | KNApSAcK: C00043818, C00043819, C00043820 |
| C27H42O3 | 414.31340 | -0.204 | 9,19-Cyclocholesta-7,20-diene-3,14,26-triol | HMDB: HMDB0041583 KNApSAcK: C00054681 |
| C27H42O3 | 414.31340 | -0.204 | Griffinisterone E | KNApSAcK: C00048724 |
| C27H42O3 | 414.31340 | -0.204 | 3beta,5alpha-dihydroxycholesta-7,9(11)-dien-6-one | LipidMAPS: LMST01010259 |
| C27H42O3 | 414.31340 | -0.204 | 9,10-seco-1,3,5(10),22E-cholestatetraen-3,8beta,9alpha-triol | LipidMAPS: LMST03020691 |
| C27H42O3 | 414.31340 | -0.204 | 20S-Hydroxy-5-alpha-cholest-1-en-3,16-dione | LipidMAPS: LMST01010309 |
| C27H42O3 | 414.31340 | -0.204 | Diospyrolide | KNApSAcK: C00032910 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 415.32068 |
| Splash: splash10-00di-0090000000-75a8a9ae52feb5945ef6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.16 | 15635 | 144 | 1000 |
| 253.27 | 2163 | 162 | 138 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe) | Flavanone | Heteroflavanone C |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe) | Flavanone | Laxiflorin |
| 0.000 | [Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH) | Flavanone | Kanzonol S |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH) | Flavone | 3'-Deoxyderhamnosylmaysin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH) | Flavone | Pinnatifinoside A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH) | Flavone | Aciculatin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH) | 4-substituted Flavan 3-ol | Prodelphinidin B6 |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe) | 12a-Hydroxyrotenone | Volubinol |
| Level: 3, プリカーサーm/z: 271.18201 |
| Splash: splash10-0udi-0190000000-87a3b3428876b2f4e66e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 253.16 | 6045 | 18 | 1000 |
| 120.96 | 514 | 150 | 85 |
| 159.11 | 367 | 112 | 60 |
| 157.05 | 341 | 114 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.182 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.158 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.154 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.154 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.154 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.154 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.154 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.083 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.083 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.083 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.083 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.083 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.083 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.083 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.071 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.071 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.071 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.071 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.071 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.071 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.071 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.071 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.071 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.071 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.067 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.067 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.050 | [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: 253.20078 |
| Splash: splash10-0a4i-0910000000-6210772a7f51f7a6dba3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 157.07 | 305 | 96 | 1000 |
| 197.08 | 146 | 56 | 477 |
| 159.11 | 102 | 94 | 335 |
| 171.08 | 80 | 82 | 262 |
| 183.03 | 50 | 70 | 164 |
| 211.15 | 47 | 42 | 153 |
| 145.08 | 43 | 108 | 139 |
| 142.91 | 41 | 110 | 134 |
| 225.07 | 38 | 28 | 123 |
| 185.14 | 31 | 68 | 103 |
| 147.00 | 31 | 106 | 101 |
| 121.03 | 17 | 132 | 55 |
| 224.19 | 16 | 29 | 51 |
| 132.99 | 16 | 120 | 51 |
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 |