ピーク情報
|
＜その他＞ （炭酸飲料類） ビール風味炭酸飲料
pos
|
| Peak #582 MN MID: SE169_S160581_M90 |
| m/z: 342.13934, RT: 12.61, 強度: 1685, ログ強度: -0.22, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 111 |
| DB検索結果: (4 names) X 14847;3-Trehalosamine;Lactosamine;(2R,3S,4R,5R,8R,9S,10R,11R)-5-Amino-1,2,3,4,8,9,10,11-octahydroxydodecane-6,7-dione |
| DBごとのヒット数: ALL 4 KG 1 KN 1 HM 2 |
| 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 |
|---|---|---|---|---|
| C12H23O10N | 341.13220 | -0.388 | 1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol | HMDB: HMDB0011668 KEGG: C19702, C15658 KNApSAcK: C00018315 |
| C12H23O10N | 341.13220 | -0.388 | 3-Trehalosamine | KNApSAcK: C00018292 |
| C12H23O10N | 341.13220 | -0.388 | Lactosamine | HMDB: HMDB0006591 |
| C12H23O10N | 341.13220 | -0.388 | (2R,3S,4R,5R,8R,9S,10R,11R)-5-Amino-1,2,3,4,8,9,10,11-octahydroxydodecane-6,7-dione | HMDB: HMDB0242759 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 342.13901 |
| Splash: splash10-00di-0029000000-15388569e1ad31fcb832 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 324.93 | 17414 | 17 | 1000 |
| 288.90 | 3971 | 53 | 228 |
| 271.01 | 915 | 71 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 324.93213 |
| Splash: splash10-000i-0190000000-e555439d753319e48deb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 288.83 | 2319 | 36 | 1000 |
| 271.08 | 603 | 54 | 259 |
| 252.97 | 329 | 72 | 141 |
| 258.55 | 260 | 66 | 112 |
| 144.97 | 252 | 180 | 108 |
| 162.88 | 200 | 162 | 86 |
| 127.01 | 132 | 198 | 56 |
| 307.06 | 126 | 18 | 54 |
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: 288.89679 |
| Splash: splash10-00di-1590000000-e0b6cf5f2a3f8b31e639 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.12 | 66 | 18 | 1000 |
| 126.85 | 28 | 162 | 426 |
| 241.21 | 28 | 48 | 425 |
| 162.99 | 18 | 126 | 266 |
| 252.96 | 16 | 36 | 247 |
| 222.92 | 14 | 66 | 210 |
| 181.01 | 13 | 108 | 192 |
| 96.79 | 13 | 192 | 191 |
| 353.07 | 12 | -64 | 179 |
| 243.30 | 10 | 46 | 148 |
| 210.94 | 8 | 78 | 126 |
| 175.19 | 6 | 114 | 94 |
| 135.07 | 6 | 154 | 88 |
| 165.01 | 5 | 124 | 75 |
| 169.02 | 4 | 120 | 62 |
| 116.89 | 4 | 172 | 54 |
| 98.97 | 4 | 190 | 54 |
| 108.97 | 4 | 180 | 54 |
| 107.25 | 4 | 182 | 54 |
| 85.10 | 4 | 204 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.143 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.138 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.138 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.103 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.095 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 0.074 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.074 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.071 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.071 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.071 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.071 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.043 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.043 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.037 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.034 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.034 | [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 |