ピーク情報
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＜茶類＞ （緑茶類） せん茶 浸出液
pos
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| Peak #663 MN MID: SE119_S160371_M90 |
| m/z: 325.11280, RT: 11.89, 強度: 70255, ログ強度: 1.50, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 154 |
| DB検索結果: (25 names) Lactulose;Sakebiose;Nigerose;Inulobiose;Trehalose;Turanose;Gentiobiose;Isomaltulose;Sakebiose;Lactose;Melibiose;Sophorose;Trehalulose;Kojibiose;Sucrose;Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose;... |
| DBごとのヒット数: ALL 23 KG 15 KN 4 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.120, 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 |
|---|---|---|---|---|
| C12H22O11 | 342.11621 | -0.355 | Lactulose | HMDB: HMDB0000740 KEGG: C07064 |
| C12H22O11 | 342.11621 | -0.355 | Sakebiose | HMDB: HMDB0006603, HMDB0259415 KNApSAcK: C00050493 |
| C12H22O11 | 342.11621 | -0.355 | Inulobiose | HMDB: HMDB0029898, HMDB0304763 KEGG: C01711 |
| C12H22O11 | 342.11621 | -0.355 | Trehalose | HMDB: HMDB0000975, HMDB0029880 KEGG: C01083 KNApSAcK: C00001152 |
| C12H22O11 | 342.11621 | -0.355 | Gentiobiose | HMDB: HMDB0259486 KNApSAcK: C00018660, C00053253 |
| C12H22O11 | 342.11621 | -0.355 | Turanose | HMDB: HMDB0011740, HMDB0260157 KEGG: C19636 KNApSAcK: C00053105 |
| C12H22O11 | 342.11621 | -0.355 | Melibiulose | HMDB: HMDB0247101 KEGG: C19634 KNApSAcK: C00053368 |
| C12H22O11 | 342.11621 | -0.355 | Nigerose | HMDB: HMDB0029882, HMDB0060068, HMDB0242694 KEGG: C01518, C02048, C04147, C19773, C22512 KNApSAcK: C00001137 |
| C12H22O11 | 342.11621 | -0.355 | beta-Lactose | HMDB: HMDB0000055, HMDB0000163, HMDB0000186, HMDB0029902, HMDB0029933, HMDB0033368, HMDB0037138, HMDB0041627, HMDB0246552 KEGG: C01970, C01971, C06422, C20861, C00185, C00208, C00897, C02964, C00243, C06421, C20236, C22492 KNApSAcK: C00001134, C00001136, C00001140, C00050427 |
| C12H22O11 | 342.11621 | -0.355 | Melibiose | HMDB: HMDB0000048, HMDB0002923, HMDB0006792, HMDB0038489, HMDB0248216 KEGG: C00252, C01728, C05402, C08240, C05400 KNApSAcK: C00001142 |
| C12H22O11 | 342.11621 | -0.355 | Sophorose | HMDB: HMDB0252573 KEGG: C08250, C15548, C22632, C21336 KNApSAcK: C00001149 |
| C12H22O11 | 342.11621 | -0.355 | Trehalulose | HMDB: HMDB0039727 |
| C12H22O11 | 342.11621 | -0.355 | Kojibiose | HMDB: HMDB0011742 KEGG: C19632 KNApSAcK: C00050477 |
| C12H22O11 | 342.11621 | -0.355 | Sucrose | HMDB: HMDB0000258, HMDB0246276 KEGG: C00089, C18068, C04219 KNApSAcK: C00001151 |
| C12H22O11 | 342.11621 | -0.355 | Maltulose | KEGG: C19633 |
| C12H22O11 | 342.11621 | -0.355 | beta-D-Galf-(1->5)-beta-D-galactofuranoside | KEGG: C22958 |
| C12H22O11 | 342.11621 | -0.355 | (3S,4R,5S)-3,4,5,6-Tetrahydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one | HMDB: HMDB0260158 |
| C12H22O11 | 342.11621 | -0.355 | Palatinose | HMDB: HMDB0256083 KEGG: C01742 |
| C12H22O11 | 342.11621 | -0.355 | 4-O-beta-D-Mannopyranosyl-D-mannose | HMDB: HMDB0242553 KNApSAcK: C00053459 |
| C12H22O11 | 342.11621 | -0.355 | Difructan | KNApSAcK: C00055102 |
| C12H22O11 | 342.11621 | -0.355 | Galactinol | HMDB: HMDB0005826, HMDB0039876 KEGG: C01235 KNApSAcK: C00001162, C00038295 |
| C12H22O11 | 342.11621 | -0.355 | Levanbiose | KEGG: C01725 |
| C12H22O11 | 342.11621 | -0.355 | Glucinol | HMDB: HMDB0039237 |
| C12H22O11 | 342.11621 | -0.355 | Maltulose | HMDB: HMDB0029919 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 325.11243 |
| Splash: splash10-000i-0190000000-e8600638be17f17dca74 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 288.89 | 30818 | 36 | 1000 |
| 268.11 | 13986 | 57 | 453 |
| 270.95 | 9945 | 54 | 322 |
| 162.83 | 7874 | 162 | 255 |
| 288.27 | 7097 | 37 | 230 |
| 258.85 | 4592 | 66 | 148 |
| 269.22 | 3996 | 56 | 129 |
| 144.84 | 3955 | 180 | 128 |
| 306.95 | 3157 | 18 | 102 |
| 252.94 | 2539 | 72 | 82 |
| 126.95 | 2213 | 198 | 71 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.120 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.087 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.087 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.087 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.087 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.077 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.077 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.077 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.077 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.077 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.048 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.048 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.048 | [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: 268.11212 |
| Splash: splash10-03di-0090000000-624d3f637bea4c79f6b5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 212.02 | 9085 | 56 | 1000 |
| 252.09 | 709 | 16 | 78 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 288.88660 |
| Splash: splash10-0fml-0390000000-1872a7640b74041f3c9a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.06 | 457 | 18 | 1000 |
| 252.95 | 234 | 36 | 511 |
| 240.91 | 165 | 48 | 361 |
| 127.12 | 142 | 162 | 310 |
| 227.12 | 95 | 62 | 207 |
| 193.18 | 84 | 96 | 183 |
| 210.95 | 78 | 78 | 170 |
| 209.05 | 74 | 80 | 162 |
| 260.98 | 72 | 28 | 156 |
| 188.74 | 65 | 100 | 141 |
| 97.04 | 61 | 192 | 134 |
| 116.71 | 61 | 172 | 132 |
| 242.92 | 47 | 46 | 102 |
| 122.04 | 38 | 167 | 82 |
| 224.94 | 36 | 64 | 78 |
| 108.75 | 35 | 180 | 76 |
| 213.03 | 34 | 76 | 74 |
| 223.05 | 30 | 66 | 66 |
| 144.42 | 26 | 144 | 56 |
| 258.77 | 25 | 30 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.103 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.103 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.103 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.100 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.100 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.074 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.045 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 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 |
| 0.036 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.034 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.034 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.034 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.034 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 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 |
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
|---|