ピーク情報
|
＜茶類＞ （発酵茶類） ウーロン茶 浸出液
pos
|
| Peak #3040 MN MID: SE119_S160421_M90 |
| m/z: 275.09142, RT: 43.43, 強度: 10720, ログ強度: 0.55, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 11 |
| DB検索結果: (48 names) Methysticin;4,2',4',alpha-Tetrahydroxydihydrochalcone;delta-Cotonefuran;Fomajorin S;beta-Pyrufuran;6,3'-Dihydroxy-2,4-dimethoxybenzophenone;Ptaerochromenol;11-Hydroxyyangonin;(R)-7,8-dihydroxy-alpha-d... |
| DBごとのヒット数: ALL 41 KG 11 KN 21 HM 9 |
| FlavonoidSearch最大スコア MS2: 0.600, 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 |
|---|---|---|---|---|
| C15H14O5 | 274.08412 | 0.078 | Methysticin | HMDB: HMDB0033590, HMDB0254671 KEGG: C09952 KNApSAcK: C00003005 |
| C15H14O5 | 274.08412 | 0.078 | 4,2',4',alpha-Tetrahydroxydihydrochalcone | FlavonoidViewer: FL1DHXNS0003 KNApSAcK: C00007947 LipidMAPS: LMPK12120575 |
| C15H14O5 | 274.08412 | 0.078 | delta-Cotonefuran | KNApSAcK: C00047843 |
| C15H14O5 | 274.08412 | 0.078 | Fomajorin S | KNApSAcK: C00021486 |
| C15H14O5 | 274.08412 | 0.078 | beta-Pyrufuran | HMDB: HMDB0030634 KEGG: C08948 KNApSAcK: C00002407 |
| C15H14O5 | 274.08412 | 0.078 | 6,3'-Dihydroxy-2,4-dimethoxybenzophenone | KNApSAcK: C00044468 |
| C15H14O5 | 274.08412 | 0.078 | 11-Hydroxyyangonin | HMDB: HMDB0033017 |
| C15H14O5 | 274.08412 | 0.078 | Ptaerochromenol | KEGG: C09029 KNApSAcK: C00002441 |
| C15H14O5 | 274.08412 | 0.078 | (R)-7,8-dihydroxy-alpha-dunnione | KNApSAcK: C00042015 |
| C15H14O5 | 274.08412 | 0.078 | Afzelechin | FlavonoidViewer: FL63AANS0001, FL63AANS0002, FL63AANS0003 HMDB: HMDB0030822, HMDB0030823 KEGG: C09320, C12128 KNApSAcK: C00000937, C00008805, C00008806 LipidMAPS: LMPK12020035, LMPK12020036, LMPK12020037 |
| C15H14O5 | 274.08412 | 0.078 | 6'-Hydroxy-O-desmethylangolensin | HMDB: HMDB0041695 KEGG: C22560 |
| C15H14O5 | 274.08412 | 0.078 | Umtatin | KNApSAcK: C00035893 |
| C15H14O5 | 274.08412 | 0.078 | Phebaclavin C | KNApSAcK: C00045364 |
| C15H14O5 | 274.08412 | 0.078 | 5-(3-Methyl-2-butenyloxy)-6,7-methylenedioxycoumarin | KNApSAcK: C00019962 |
| C15H14O5 | 274.08412 | 0.078 | Fisetinidol | FlavonoidViewer: FL631CNS0001, FL631CNS0002, FL631CNS0003 HMDB: HMDB0030541 KEGG: C09735 KNApSAcK: C00008822, C00008823, C00008824 LipidMAPS: LMPK12020013, LMPK12020014, LMPK12020015 |
| C15H14O5 | 274.08412 | 0.078 | Ficuformodiol A | KNApSAcK: C00035308 |
| C15H14O5 | 274.08412 | 0.078 | Ficuformodiol B | KNApSAcK: C00035309 |
| C15H14O5 | 274.08412 | 0.078 | 3,3',5,5'-Tetrahydroxy-4-methoxystilbene | HMDB: HMDB0030377 KNApSAcK: C00015561 |
| C15H14O5 | 274.08412 | 0.078 | alpha-Pyrufuran | HMDB: HMDB0030635 KEGG: C08929 KNApSAcK: C00002406 |
| C15H14O5 | 274.08412 | 0.078 | Apiferol | FlavonoidViewer: FL64AANS0001 HMDB: HMDB0037232 KEGG: C12124 KNApSAcK: C00008975 LipidMAPS: LMPK12020166 |
| C15H14O5 | 274.08412 | 0.078 | 5'-Hydroxy-O-desmethylangolensin | HMDB: HMDB0041685 |
| C15H14O5 | 274.08412 | 0.078 | Luteoliflavan | KEGG: C12122 |
| C15H14O5 | 274.08412 | 0.078 | Greveichromenol | KNApSAcK: C00030428 |
| C15H14O5 | 274.08412 | 0.078 | Mikacynancholide | KNApSAcK: C00012938 |
| C15H14O5 | 274.08412 | 0.078 | 5-Acetoxyisogoniothalamin oxide | KNApSAcK: C00036591 |
| C15H14O5 | 274.08412 | 0.078 | Corymbiferan lactone D | KNApSAcK: C00043410 |
| C15H14O5 | 274.08412 | 0.078 | 3'-Hydroxy-O-desmethylangolensin | HMDB: HMDB0041654 |
| C15H14O5 | 274.08412 | 0.078 | Eranthin | KNApSAcK: C00055840 |
| C15H14O5 | 274.08412 | 0.078 | 11-Methoxynoryangonin | HMDB: HMDB0030754 |
| C15H14O5 | 274.08412 | 0.078 | Hydroxysesamone | HMDB: HMDB0037760 |
| C15H14O5 | 274.08412 | 0.078 | 2,3-Epoxysesamone | HMDB: HMDB0033333 |
| C15H14O5 | 274.08412 | 0.078 | 5,6-Dehydro-7,8-dihydromethysticin | KNApSAcK: C00043208 |
| C15H14O5 | 274.08412 | 0.078 | Phloretin | FlavonoidViewer: FL1DAANS0001 HMDB: HMDB0003306 KEGG: C00774 KNApSAcK: C00007936 LipidMAPS: LMPK12120525 |
| C15H14O5 | 274.08412 | 0.078 | Wyerone epoxide | HMDB: HMDB0030949 |
| C15H14O5 | 274.08412 | 0.078 | Guibourtinidol-4alpha-ol | FlavonoidViewer: FL6D1ANS0001, FL6D1ANS0002, FL6D1ANS0003 HMDB: HMDB0040828 KEGG: C16415 KNApSAcK: C00008993, C00008994, C00008995, C00020071 LipidMAPS: LMPK12020175, LMPK12020176, LMPK12020177 |
| C15H14O5 | 274.08412 | 0.078 | Miscandenin | KNApSAcK: C00012046 |
| C15H14O5 | 274.08412 | 0.078 | H37 | KEGG: C13767 |
| C15H14O5 | 274.08412 | 0.078 | Hemigossypolone | HMDB: HMDB0030744 |
| C15H14O5 | 274.08412 | 0.078 | Lecanorin | KNApSAcK: C00046797 |
| C15H14O5 | 274.08412 | 0.078 | Avicequinone A | KNApSAcK: C00032748 |
| C15H14O5 | 274.08412 | 0.078 | Anhydroscandenolide | KNApSAcK: C00012357 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 275.09143 |
| Splash: splash10-000i-0900000000-2267b183077052ffe382 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 138.89 | 39316 | 136 | 1000 |
| 148.88 | 13670 | 126 | 347 |
| 106.86 | 2095 | 168 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.600 | [Flavan 3-ol]-A(2OH)-B(1OH) | Flavan 3-ol | Afzelechin |
| 0.500 | [Dihydrochalcone]-A(3OH)-B(1OH) | Dihydrochalcone | Phloretin |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | Fisetinidol |
| 0.000 | [Auronol]-A(none)-B(1Cl) | Auronol | 4'-Chloro-2-hydroxyaurone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OH) | Dihydrochalcone alpha-ol | 4,2',4',alpha-Tetrahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(1OH) | Dihydrochalcone beta-ol | 4,2',4',beta-Tetrahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(1OH) | Flavan 4-ol | Apifero |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,4'-Tetrahydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(2OH) | Flavan | 5,7,3',4'-Tetrahydroxyflavan |