ピーク情報
ミヤコグサ
pos
|
Peak #778 MN MID: SE205_S07_M90 |
m/z: 337.08944, RT: 12.93, 強度: 13144, ログ強度: 0.62, アダクト: [M+Na]+, 共有数(同様のピークを含むサンプル数): 12 |
DB検索結果: (14 names) Cynanoneside A;2-Methoxycarbonylphenyl beta-D-glucopyranoside;Vanilloside;Pungenin;Bungeiside A;Cuneataside A;2-O-Acetylarbutin;Glochidionolactone A;(+)-Glochidionolactone A;2-Hydroxyphenylacetic acid... |
DBごとのヒット数: ALL 13 KG 1 KN 9 HM 3 |
FlavonoidSearch最大スコア MS2: 0.111, MS3: - |
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 |
---|---|---|---|---|
C14H18O8 | 314.10017 | 0.176 | Cynanoneside A | KNApSAcK: C00050049 |
C14H18O8 | 314.10017 | 0.176 | 2-Methoxycarbonylphenyl beta-D-glucopyranoside | HMDB: HMDB0033137 |
C14H18O8 | 314.10017 | 0.176 | Vanilloside | HMDB: HMDB0029664 KEGG: C19808 KNApSAcK: C00045132 |
C14H18O8 | 314.10017 | 0.176 | Pungenin | KNApSAcK: C00048073 |
C14H18O8 | 314.10017 | 0.176 | Bungeiside A | KNApSAcK: C00024139 |
C14H18O8 | 314.10017 | 0.176 | Cuneataside A | KNApSAcK: C00050567, C00050568 |
C14H18O8 | 314.10017 | 0.176 | 2-O-Acetylarbutin | HMDB: HMDB0040720 KNApSAcK: C00054558 |
C14H18O8 | 314.10017 | 0.176 | Glochidionolactone A | KNApSAcK: C00033002, C00033298 |
C14H18O8 | 314.10017 | 0.176 | Glochidacuminoside A | HMDB: HMDB0038333 KNApSAcK: C00031817 |
C14H18O8 | 314.10017 | 0.176 | Bungeiside B | KNApSAcK: C00024140 |
C14H18O8 | 314.10017 | 0.176 | Tyrosol glucuronide | HMDB: HMDB0240563 |
C14H18O8 | 314.10017 | 0.176 | 6-O-Acetylarbutin | HMDB: HMDB0034060 KNApSAcK: C00054560 |
C14H18O8 | 314.10017 | 0.176 | (S)-Mandelic acid O-beta-D-Glucopyranoside | HMDB: HMDB0038335 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 337.08914 |
Splash: splash10-014i-0951000000-dd09f5f0595bbbda01a4 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
115.92 | 954 | 221 | 1000 |
222.07 | 438 | 115 | 459 |
319.01 | 181 | 18 | 189 |
191.20 | 69 | 146 | 72 |
247.21 | 68 | 90 | 71 |
276.92 | 61 | 60 | 63 |
204.15 | 61 | 133 | 63 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.111 | [Isoflavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Isoderrone |
0.111 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Glabrone |
0.111 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Puerarone |
0.111 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Alpinumisoflavone |
0.111 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Derrone |
0.074 | [Isoflavone]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Isoflavone | 4'-O-Methylneobavaisoflavone |
0.063 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Oaxacacin |
0.063 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Pongachalcone I |
0.063 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Cedreprenone |
0.063 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | 4-Methoxylonchocarpin |
0.059 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Ovalichromene |
0.059 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin methyl ether |
0.059 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Dorspoinsettifolin |
0.056 | [Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo C |
0.056 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Atalantoflavone |
0.056 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Carpachromene |
0.056 | [Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Chalcone | Licoagrochalcone B |
0.000 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Psoralidin |
0.000 | [Coumestan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Coumestan | Isosojagol |
0.000 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Phaseol |
0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Hemileiocarpin |
0.000 | [2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 2-(alpha-oxobenzyl)benzofuran | Derriobtusone B |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | 2'-Hydroxychalcone | Crassichalcone |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 6'-Demethoxypraecansone B |
0.000 | [Flavanone]-A(1OH, 1OMe, 1(3-Methylbutadienyl))-B(none) | Flavanone | Tephroleocarpin B |
0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavanone | Emoroidenone |
0.000 | [Flavone]-A(1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | Lanceolatin A(flavonoid) |
0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavone | Ciliatin A |
0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | Pongapin |
0.000 | [Flav-3-ene]-A(2OMe, 1(C-Prenyl))-B(none) | Flav-3-ene | Tephrowatsin B |
0.000 | [Isoflavone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dehydroneotenone |
0.000 | [Isoflavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Isoflavone | Garhwalin |
0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH) | Pterocarpan-6a-ol | Clandestacarpin |
0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Coumestan | Sojagol |
0.000 | [Coumestan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Coumestan | Isopsoralidin |
0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Rotenone | Dolineone |
0.000 | [3-Phenylcoumarin]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | Pachyrrhizin |