ピーク情報
|
はつか大根 葉
pos
|
| Peak #1139 MN MID: SE202_S21_M90 |
| m/z: 325.11289, RT: 11.94, 強度: 187235, ログ強度: 1.82, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 25 |
| DB検索結果: (4 names) Difructose anhydride III;Bis-D-fructose 2',1:2,1'-dianhydride;Difructose anhydride I;Furaltadone |
| DBごとのヒット数: ALL 3 KG 3 |
| FlavonoidSearch最大スコア MS2: 0.125, 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 |
|---|---|---|---|---|
| C12H20O10 | 324.10565 | -0.099 | alpha-D-Fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride | HMDB: HMDB0251271 KEGG: C04420 |
| C12H20O10 | 324.10565 | -0.099 | Bis-D-fructose 2',1:2,1'-dianhydride | KEGG: C04333 |
| C13H16O6N4 | 324.10698 | -4.225 | Levofuraltadone | HMDB: HMDB0252529 KEGG: C19267 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 325.11267 |
| Splash: splash10-000i-0190000000-493865e0cfcfc8d4db88 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 288.82 | 20442 | 36 | 1000 |
| 268.14 | 5904 | 57 | 288 |
| 271.07 | 5312 | 54 | 259 |
| 258.78 | 2828 | 66 | 138 |
| 162.94 | 2778 | 162 | 135 |
| 144.91 | 1859 | 180 | 90 |
| 269.19 | 1705 | 56 | 83 |
| 307.13 | 1675 | 18 | 81 |
| 126.91 | 1409 | 198 | 68 |
| 253.11 | 1278 | 72 | 62 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.125 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.091 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.091 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.091 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.091 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.080 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.080 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.080 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.080 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.080 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.050 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.050 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.050 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Chalcone | Crotmadine |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin E |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dorsmanin A |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none) | Dihydrochalcone | 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
| 0.000 | [Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | 7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone |
| 0.000 | [Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe) | Isoflavanone | Neoraunone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavan | Crotmarine |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Glabridin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Phaseollinisoflavan |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe) | Pterocarpan | Ambonane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Neobanol |
| Level: 3, プリカーサーm/z: 268.16000 |
| Splash: splash10-03di-0090000000-29cf51cc97a6cf81ba46 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 212.03 | 3484 | 56 | 1000 |
| 252.17 | 204 | 16 | 58 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 288.95392 |
| Splash: splash10-0fk9-0290000000-c87cb5e11b5ccef6c74b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.17 | 113 | 18 | 1000 |
| 253.13 | 81 | 36 | 713 |
| 211.10 | 30 | 78 | 268 |
| 126.90 | 21 | 162 | 184 |
| 243.04 | 17 | 46 | 150 |
| 144.88 | 17 | 144 | 146 |
| 207.17 | 14 | 82 | 121 |
| 162.96 | 12 | 126 | 104 |
| 135.00 | 11 | 154 | 101 |
| 215.16 | 11 | 74 | 99 |
| 110.87 | 7 | 178 | 58 |
| 235.13 | 6 | 54 | 54 |
| 260.85 | 6 | 28 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.250 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.238 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.238 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.190 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.158 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.150 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.150 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.150 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.150 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.133 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.133 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.105 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.100 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.067 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 0.045 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.045 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Isocarthamidin |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OH, 1OMe) | Dihydrochalcone | Loureirin D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | Asebogenin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(2OH) | Dihydrochalcone | Dihydrocalythropsin |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1OMe) | Dihydrochalcone | 4,2',4'-Trihydroxy-3-methoxydihydrochalcone |
| 0.000 | [Auronol]-A(1OH)-B(2OH) | Auronol | 2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone |
| 0.000 | [Auronol]-A(2OH)-B(1OH) | Auronol | Maesopsin |
| 0.000 | [alpha-Hydroxychalcone]-A(2OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',4',alpha-Pentahydroxychalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone alpha-ol | 4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe) | Dihydrochalcone alpha-ol | 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(1OH) | 2-Hydroxyflavanone | 2,5,7,4'-Tetrahydroxyflavanone |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | Cyanomaclurin |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 1OMe) | Flavan | 7,3',5'-Trihydroxy-4'-methoxyflavan |