ピーク情報
リーフレタスグリーン
pos
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Peak #6396 MN MID: SE198_S12_M90 |
m/z: 425.18163, RT: 42.90, 強度: 120404, ログ強度: 1.58, 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: (27 names) Crepidiaside B;Ainsliaside B;Anthemolide F;(+)-Anthemolide F;(-)-Ixerin B;Ixerin B;[4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxo... |
DBごとのヒット数: ALL 22 KG 1 KN 21 |
FlavonoidSearch最大スコア MS2: 0.083, MS3: - |
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
|
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 |
---|---|---|---|---|
C21H28O9 | 424.17333 | 2.403 | Crepidiaside B | HMDB: HMDB0302022 KNApSAcK: C00020808 |
C21H28O9 | 424.17333 | 2.403 | Ainsliaside B | HMDB: HMDB0035249 KNApSAcK: C00012172, C00037887 |
C21H28O9 | 424.17333 | 2.403 | Anthemolide F | KNApSAcK: C00033650 |
C21H28O9 | 424.17333 | 2.403 | (-)-Ixerin B | KNApSAcK: C00012216 |
C21H28O9 | 424.17333 | 2.403 | [4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one | KNApSAcK: C00012131 |
C21H28O9 | 424.17333 | 2.403 | 8-Acetylneosolaniol | HMDB: HMDB0247414 KNApSAcK: C00012614 |
C21H28O9 | 424.17333 | 2.403 | Chloranoside A | KNApSAcK: C00038744 |
C21H28O9 | 424.17333 | 2.403 | Lactuside C | KNApSAcK: C00034019, C00034082 |
C21H28O9 | 424.17333 | 2.403 | 8-O-Isobutyryl-9-O-acetylanthemolide B | KNApSAcK: C00033603 |
C21H28O9 | 424.17333 | 2.403 | [3aR-(3aR*,5E,9Z,11aR*)]- 2,3,3a,4,7,8,11,11a-Octahydro-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid | KNApSAcK: C00012385 |
C21H28O9 | 424.17333 | 2.403 | Crepiside E | KNApSAcK: C00020507 |
C21H28O9 | 424.17333 | 2.403 | Diaspanoside A | KNApSAcK: C00020763, C00021003 |
C21H28O9 | 424.17333 | 2.403 | Youngiaside A | KNApSAcK: C00034349 |
C21H28O9 | 424.17333 | 2.403 | Confertolide | KNApSAcK: C00012156 |
C21H28O9 | 424.17333 | 2.403 | Ixerin Y | KNApSAcK: C00033977 |
C21H28O9 | 424.17333 | 2.403 | Hypochoeroside I | KNApSAcK: C00033946 |
C21H28O9 | 424.17333 | 2.403 | (-)-3'-Methoxy specinonin | KNApSAcK: C00029275, C00031041, C00031042 |
C21H28O9 | 424.17333 | 2.403 | Grandidentatin | KEGG: C10463 KNApSAcK: C00002749 |
C21H28O9 | 424.17333 | 2.403 | Ainslioside | KNApSAcK: C00012173 |
C21H28O9 | 424.17333 | 2.403 | Ixerinoside | KNApSAcK: C00033979 |
C21H28O9 | 424.17333 | 2.403 | Crepiside C | KNApSAcK: C00020446, C00020447 |
C21H28O9 | 424.17333 | 2.403 | Plagiochilin G | KNApSAcK: C00021265 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 425.18060 |
Splash: splash10-03di-0090000000-165dae582606c66c5420 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
263.09 | 79302 | 162 | 1000 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.083 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | Lespedezaflavanone C |
0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | Monotesone B |
0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | 6,8-Diprenyleriodictyol |
0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | Kushenol E |
0.000 | [Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl)) | Flavanone | Sigmoidin A |
0.000 | [Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl)) | Flavanone | Abyssinin III |
0.000 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavanone | 3'-Dimethylallylkievitone |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Gancaonin E |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | 5,7,3',4'-Tetrahydroxy-6,5'-di-C-prenylflavanone |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone D |
0.000 | [Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(1OH) | Dihydroflavonol | 6,8-diprenylaromadendrin |
0.000 | [Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavone | 7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Angusticornin B |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(4-Hydroxy-5-(hydroxyisopropanyl)dihydrofurano))) | 2'-Hydroxychalcone | Paratocarpin G |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | 2'-Hydroxychalcone | Tephropurpurin |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin E |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin F |
0.000 | [Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4-Ispropyl-7-methyl-7-hydroxy-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none) | Dihydrochalcone | Adunctin E |
0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Helihumulone |
0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Exiguaflavanone A |
0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH) | Flavanone | Exiguaflavanone L |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavanone | Lupiniol A1 |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Flavanone | Lupiniol B |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(3-Methyl-2,3-epoxybutyl)) | Flavanone | Flemiflavanone D |
0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Lonchocarpol C |
0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Lonchocarpol D |
0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(2OH) | Flavanone | Diplacone |
0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Propolin D |
0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Isonymphaeol B |
0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Dorsmanin J |
0.000 | [Flavanone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Dorsmanin E |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl)) | Flavanone | 2',4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl)) | Flavanone | 5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone |
0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Sanggenol A |
0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | 5'-Geranylsteppogenin |
0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(2OH) | Flavanone | Sophoraflavanone C |
0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Kushenol F |
0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Sophoraflavanone G |
0.000 | [Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(2OH) | Flavanone | Remangiflavanone B |
0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH) | Flavanone | Leachianone F |
0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH) | Dihydroflavonol | Bonanniol A |
0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl)) | Dihydroflavonol | Hypnum acid |
0.000 | [Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | 8-C-Methylvelloquercetin 3,5,3'-trimethyl ether |
0.000 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | 6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one |
0.000 | [Isoflavanone]-A(2OH, 1Geranyl)-B(2OH) | Isoflavanone | 6-Geranyldalbergioidin |
0.000 | [Isoflavan]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavan | Licoricidin |
0.000 | [Rotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Erythynone |
0.000 | [12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Methoxyrotenone |
0.000 | [6-Hydroxydehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 6-Hydroxydehydrorotenone | 6-Hydroxy-6a,12a-dehydro-alpha-toxicarol |
Level: 3, プリカーサーm/z: 263.09073 |
Splash: splash10-0002-0090000000-d8dfc301d9157844c9e5 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
245.12 | 14874 | 18 | 1000 |
217.14 | 2706 | 46 | 181 |
199.05 | 946 | 64 | 63 |
227.06 | 747 | 36 | 50 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.000 | [Aurone]-A(1([2,3:@@]-Furano))-B(none) | Aurone | Furano[2'',3'':6,7]aurone |