ピーク情報
|
（にんにく類） にんにく りん茎 生
pos
|
| Peak #1858 MN MID: SE116_S062231_M90 |
| m/z: 325.11295, RT: 19.48, 強度: 24097, ログ強度: 0.78, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 22 |
| 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: 0.136, MS3: 0.048 |
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 | 0.069 | alpha-D-Fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride | HMDB: HMDB0251271 KEGG: C04420 |
| C12H20O10 | 324.10565 | 0.069 | Bis-D-fructose 2',1:2,1'-dianhydride | KEGG: C04333 |
| C13H16O6N4 | 324.10698 | -4.058 | Levofuraltadone | HMDB: HMDB0252529 KEGG: C19267 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 325.11243 |
| Splash: splash10-00kr-0090000000-ac0d7ac38c0e522a1cec |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 288.81 | 13785 | 36 | 1000 |
| 268.17 | 7372 | 57 | 534 |
| 270.99 | 2999 | 54 | 217 |
| 258.90 | 1488 | 66 | 107 |
| 253.09 | 1128 | 72 | 81 |
| 162.90 | 1087 | 162 | 78 |
| 269.17 | 1027 | 56 | 74 |
| 307.08 | 921 | 18 | 66 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.136 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.100 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.100 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.100 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.100 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.087 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.087 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.087 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.056 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.056 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.056 | [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: 268.17453 |
| Splash: splash10-03di-0090000000-e1c7144d175d1db7c811 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 212.05 | 3714 | 56 | 1000 |
| 252.13 | 201 | 16 | 54 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 288.81027 |
| Splash: splash10-00fr-0590000000-e636319850e368984552 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.12 | 123 | 18 | 1000 |
| 126.82 | 69 | 162 | 557 |
| 253.03 | 50 | 36 | 402 |
| 259.04 | 31 | 30 | 249 |
| 223.09 | 31 | 66 | 247 |
| 144.93 | 24 | 144 | 193 |
| 225.04 | 20 | 64 | 164 |
| 162.90 | 20 | 126 | 161 |
| 112.90 | 12 | 176 | 97 |
| 207.12 | 12 | 82 | 95 |
| 211.19 | 10 | 78 | 78 |
| 129.20 | 10 | 160 | 78 |
| 171.05 | 8 | 118 | 62 |
| 132.61 | 8 | 156 | 61 |
| 235.17 | 7 | 54 | 56 |
| 241.11 | 7 | 48 | 53 |
| 189.01 | 6 | 100 | 51 |
| 96.77 | 6 | 192 | 51 |
| 168.84 | 6 | 120 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.074 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.074 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.074 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.074 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.069 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.069 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.069 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.067 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.067 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.048 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 0.045 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.045 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.038 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.037 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.036 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.036 | [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 |