ピーク情報
|
細ネギ （若香）地下部
pos
|
| Peak #6398 MN MID: SE201_S21_M90 |
| m/z: 463.30520, RT: 59.92, 強度: 8242, ログ強度: 0.33, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (25 names) Ranmogenin A;(-)-Ranmogenin A;Norquadrangularic acid A;(+)-Norquadrangularic acid A;2beta,3beta,14,20-tetrahydroxy-22,25-epoxy-5beta-cholest-7-en-6-one;Tupichigenin A;(-)-Tupichigenin A;[2S-[2alpha(Z)... |
| DBごとのヒット数: ALL 18 KG 2 KN 12 HM 1 LM 3 |
| FlavonoidSearch最大スコア MS2: 0.200, 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 |
|---|---|---|---|---|
| C27H42O6 | 462.29814 | -0.457 | Ranmogenin A | KNApSAcK: C00033339, C00045127 |
| C27H42O6 | 462.29814 | -0.457 | Norquadrangularic acid A | KNApSAcK: C00046834 |
| C27H42O6 | 462.29814 | -0.457 | 2beta,3beta,14,20-tetrahydroxy-22,25-epoxy-5beta-cholest-7-en-6-one | LipidMAPS: LMST01010193 |
| C27H42O6 | 462.29814 | -0.457 | [2S-[2alpha(Z),4aalpha,6alpha,8beta(S*),8abeta]]-8a-[(Acetyloxy)methyl]decahydro-6-hydroxy-8-(3-hydroxy-3-methyl-4-pentenyl)-4,4-dimethyl-7-methylene-2-naphthalenyl ester 2-methyl-2-butenoic acid | KNApSAcK: C00023212 |
| C27H42O6 | 462.29814 | -0.457 | Tupichigenin A | KNApSAcK: C00047115 |
| C27H42O6 | 462.29814 | -0.457 | Lucidenic acid M | HMDB: HMDB0035973 KNApSAcK: C00023885 |
| C27H42O6 | 462.29814 | -0.457 | Alliogenone | KNApSAcK: C00054504, C00054505 |
| C27H42O6 | 462.29814 | -0.457 | 3-Dehydroecdysone | KEGG: C02513 LipidMAPS: LMST01010172 |
| C27H42O6 | 462.29814 | -0.457 | Hyousterone C | KNApSAcK: C00039389, C00039390 LipidMAPS: LMST01010551, LMST01010552 |
| C27H42O6 | 462.29814 | -0.457 | 2beta,3beta,20R,22R,25-pentahydroxy-cholesta-7,9(11)-dien-6-one | LipidMAPS: LMST01010474 |
| C27H42O6 | 462.29814 | -0.457 | (22R)-3beta,14,22,25-tetrahydroxy-5beta-cholest-7-ene-2,6-dione | LipidMAPS: LMST01010180 |
| C27H42O6 | 462.29814 | -0.457 | Dacryhainansterone | KNApSAcK: C00045271 LipidMAPS: LMST01010473 |
| C27H42O6 | 462.29814 | -0.457 | Sagittine C | KNApSAcK: C00041815 |
| C27H42O6 | 462.29814 | -0.457 | (3S,7S,16S,20R,22R,24S)-16,24:20,24-diepoxycholest-5-ene-3,7,22,25-tetraol | LipidMAPS: LMST01010499 |
| C27H42O6 | 462.29814 | -0.457 | Hongdoushan C | KNApSAcK: C00046012 |
| C27H42O6 | 462.29814 | -0.457 | Sagittine D | KNApSAcK: C00041816 |
| C27H42O6 | 462.29814 | -0.457 | Podecdysone B | KEGG: C08832 KNApSAcK: C00003664 |
| C28H38O2N4 | 462.29948 | -3.350 | N-[2-[5-[[3-(2-Aminoethyl)-1H-indol-5-yl]-methoxymethoxy]-1H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine | HMDB: HMDB0260429 |
| C28H38O2N4 | 462.29948 | -3.350 | Verbacine | KNApSAcK: C00029207, C00029208 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 463.30524 |
| Splash: splash10-014i-0009200000-42ee4eea7dd18ffb9aa7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 319.27 | 2572 | 144 | 1000 |
| 445.22 | 570 | 18 | 221 |
| 301.21 | 368 | 162 | 142 |
| 427.39 | 366 | 36 | 142 |
| 283.17 | 289 | 180 | 112 |
| 313.27 | 164 | 150 | 63 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Isoscoparin |
| 0.200 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 6-C-beta-D-Glucopyranosyldiosmetin |
| 0.200 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Swertiajaponin |
| 0.200 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Scoparin |
| 0.200 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 8-C-beta-D-Glucopyranosyldiosmetin |
| 0.200 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Parkinsonin A |
| 0.200 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Isoswertiajaponin |
| 0.200 | [Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Flavonol | Keyakinin |
| 0.200 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Isoflavone | Dalpanitin |
| 0.000 | [Flavone]-A(4OMe)-B(4OMe) | Flavone | Agehoustin A |
| 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: 319.24512 |
| Splash: splash10-0f89-0096000000-279ec54ebd80765ce40c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 283.25 | 966 | 36 | 1000 |
| 301.22 | 711 | 18 | 736 |
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 |
| Level: 3, プリカーサーm/z: 445.25211 |
| Splash: splash10-004i-0027900000-807f0a9227c82f32d52e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 427.25 | 97 | 18 | 1000 |
| 409.40 | 44 | 36 | 448 |
| 319.18 | 37 | 126 | 379 |
| 303.29 | 33 | 142 | 337 |
| 428.49 | 15 | 17 | 159 |
| 283.16 | 15 | 162 | 159 |
| 297.39 | 11 | 148 | 117 |
| 311.32 | 11 | 134 | 108 |
| 281.25 | 10 | 164 | 105 |
| 313.30 | 9 | 132 | 88 |
| 285.13 | 8 | 160 | 87 |
| 301.02 | 8 | 144 | 77 |
| 317.29 | 7 | 128 | 77 |
| 331.53 | 7 | 114 | 75 |
| 332.90 | 7 | 112 | 71 |
| 357.59 | 7 | 88 | 71 |
| 212.62 | 6 | 233 | 63 |
| 355.09 | 5 | 90 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe) | Flavone | 7-Hydroxy-5,4'-dimethoxyflavone 8-C-rhamnoside |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH, 1OMe) | Flavone | 3'-O-Methylderhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH, 1OMe) | Flavone | 6-C-(6-Deoxy-ribo-hexos-3-ulosyl)diosmetin |
| 0.000 | [UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone | Artomunoxanthentrione |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe) | Isoflavone | Isovolubilin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe) | Isoflavone | Volubilin |