ピーク情報
|
タバコBY-2細胞 3日目
pos
|
| Peak #860 MN MID: SE204_S03_M90 |
| m/z: 342.13939, RT: 11.92, 強度: 109820, ログ強度: 1.65, アダクト: [M+NH4]+, [M-H2O+NH4]+, 共有数（同様のピークを含むサンプル数）: 17 |
| 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: -, MS3: 0.087 |
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 | -0.257 | alpha-D-Fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride | HMDB: HMDB0251271 KEGG: C04420 |
| C12H20O10 | 324.10565 | -0.257 | Bis-D-fructose 2',1:2,1'-dianhydride | KEGG: C04333 |
| C13H16O6N4 | 324.10698 | -4.384 | Levofuraltadone | HMDB: HMDB0252529 KEGG: C19267 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 342.13907 |
| Splash: splash10-00di-0159000000-eeba1ab9645e1d88b77d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 324.86 | 75514 | 17 | 1000 |
| 288.83 | 32572 | 53 | 431 |
| 180.00 | 9347 | 162 | 123 |
| 271.00 | 7068 | 71 | 93 |
| 258.75 | 6194 | 83 | 82 |
| 288.21 | 4083 | 54 | 54 |
| 162.99 | 3946 | 179 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 324.85870 |
| Splash: splash10-000i-0190000000-a5dadea1283c3443d71f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 288.95 | 4583 | 36 | 1000 |
| 288.31 | 1174 | 37 | 256 |
| 271.03 | 1168 | 54 | 254 |
| 306.93 | 786 | 18 | 171 |
| 258.80 | 670 | 66 | 146 |
| 162.94 | 519 | 162 | 113 |
| 126.96 | 389 | 198 | 84 |
| 144.95 | 295 | 180 | 64 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.087 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.048 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.048 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.048 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.048 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.042 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.042 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.042 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.042 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.042 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.000 | [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: 288.83389 |
| Splash: splash10-0fkc-0490000000-8d568e77e123dd9970e5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.12 | 396 | 18 | 1000 |
| 252.75 | 163 | 36 | 410 |
| 211.14 | 93 | 78 | 233 |
| 243.09 | 78 | 46 | 197 |
| 126.93 | 68 | 162 | 171 |
| 192.58 | 64 | 96 | 160 |
| 194.98 | 61 | 94 | 153 |
| 145.01 | 58 | 144 | 147 |
| 153.19 | 57 | 136 | 144 |
| 234.97 | 39 | 54 | 98 |
| 206.81 | 27 | 82 | 68 |
| 134.80 | 25 | 154 | 64 |
| 109.33 | 20 | 180 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.235 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.190 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.190 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.182 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.182 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.158 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.133 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.133 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.100 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.095 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.095 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.095 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.095 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.095 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.095 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Isocarthamidin |
| 0.087 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 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 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-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 |