ピーク情報
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トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #10826 MN MID: SE203_S11_M90 |
| m/z: 329.15948, RT: 97.33, 強度: 2134, ログ強度: -0.24, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (16 names) Xylaroside B;(+)-Xylaroside B;7-Hydroxythymol 3-O-beta-D-glucopyranoside;Thymoquinol 2-O-beta-glucopyranoside;(-)-Thymoquinol 2-O-beta-glucopyranoside;Rhododendrin;Prostaglandin M;Cymorcin monoglucosi... |
| DBごとのヒット数: ALL 12 KG 1 KN 5 HM 3 LM 3 |
| FlavonoidSearch最大スコア MS2: 0.103, 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 |
|---|---|---|---|---|
| C16H24O7 | 328.15220 | -0.007 | Xylaroside B | KNApSAcK: C00034342 |
| C16H24O7 | 328.15220 | -0.007 | 7-Hydroxythymol 3-O-beta-D-glucopyranoside | HMDB: HMDB0039385 KNApSAcK: C00050756 |
| C16H24O7 | 328.15220 | -0.007 | Thymoquinol 2-O-beta-glucopyranoside | KNApSAcK: C00037916 |
| C16H24O7 | 328.15220 | -0.007 | Rhododendrin | KEGG: C09965 KNApSAcK: C00003014, C00030192 |
| C16H24O7 | 328.15220 | -0.007 | Prostaglandin M | HMDB: HMDB0256857 LipidMAPS: LMFA03010194 |
| C16H24O7 | 328.15220 | -0.007 | Cymorcin monoglucoside | HMDB: HMDB0029777 |
| C16H24O7 | 328.15220 | -0.007 | Xylaroside A | KNApSAcK: C00034341 |
| C16H24O7 | 328.15220 | -0.007 | 9S-hydroxy-11,15-dioxo-2,3,4,5-tetranor-prostan-1,20-dioic acid | LipidMAPS: LMFA03010221 |
| C16H24O7 | 328.15220 | -0.007 | Tetranor-PGEM | HMDB: HMDB0253059 LipidMAPS: LMFA03010032 |
| C16H24O7 | 328.15220 | -0.007 | Perilloside B | HMDB: HMDB0040465 |
| C16H24O7 | 328.15220 | -0.007 | 6-[(1R,2R,3S,5S)-2-[(Z)-4-Carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid | HMDB: HMDB0256370 |
| C16H24O7 | 328.15220 | -0.007 | Thymoquinol 5-O-beta-glucopyranoside | KNApSAcK: C00037917 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 329.15952 |
| Splash: splash10-03di-0059000000-83bb1d5fd5c24d120ac7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 310.18 | 918 | 19 | 1000 |
| 311.25 | 469 | 18 | 511 |
| 272.90 | 265 | 56 | 288 |
| 268.69 | 135 | 60 | 147 |
| 217.03 | 107 | 112 | 116 |
| 213.20 | 72 | 116 | 78 |
| 212.53 | 69 | 117 | 74 |
| 250.12 | 68 | 79 | 73 |
| 128.97 | 63 | 200 | 68 |
| 251.08 | 62 | 78 | 67 |
| 228.16 | 59 | 101 | 64 |
| 282.23 | 54 | 47 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.103 | [Isoflavone]-A(1OMe)-B(1OH, 2OMe) | Isoflavone | 2'-Hydroxy-7,3',4'-trimethoxyisoflavone |
| 0.103 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | 5-Methoxyafrormosin |
| 0.103 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | 7,4'-Di-O-methyltectorigenin |
| 0.103 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | Iso-5-methoxyafrormosin |
| 0.103 | [Isoflavone]-A(1OH)-B(3OMe) | Isoflavone | 7-Hydroxy-2',4',5'-trimethoxyisoflavone |
| 0.103 | [Isoflavone]-A(1OH, 1OMe)-B(2OMe) | Isoflavone | Cladrastin |
| 0.103 | [Isoflavone]-A(1OH, 1OMe)-B(2OMe) | Isoflavone | 7-Hydroxy-8,3',4'-trimethoxyisoflavone |
| 0.095 | [Chalcone]-A(4OMe)-B(none) | Chalcone | 2',3',4',6'-Tetramethoxychalcone |
| 0.077 | [Flavonol]-A(3OMe)-B(none) | Flavonol | 3-Hydroxy-5,7,8-trimethoxyflavone |
| 0.077 | [Flavonol]-A(2OMe)-B(1OMe) | Flavonol | 3-Hydroxy-7,8,4'-trimethoxyflavone |
| 0.077 | [Flavonol]-A(1OMe)-B(2OMe) | Flavonol | Fisetin 7,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Grantionin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Zapotinin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | 5-Hydroxy-7,2',5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | 5-Hydroxy-7,2',6'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Luteolin 5,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Luteolin 7,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Noratocarpetin 7,2',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | 6-Hydroxy-5,7,4'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Salvigenin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | 7-Hydroxy-5,8,2'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Andrographin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Isoscutellarein 7,8,4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(none) | Flavone | 8-Hydroxy-5,6,7-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(none) | Flavone | Alnetin |
| 0.000 | [Aurone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe) | Aurone | 6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone |
| 0.000 | [Aurone]-A(1OH, 2OMe)-B(1OMe) | Aurone | 5-Hydroxy-4,6,4'-trimethoxyaurone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Tephrone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Milletenone |
| 0.000 | [UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone]-A(1OH, 4Methyl)-B(1OH) | UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone | 2-Hydroxy-7,8-dehydrograndiflorone |
| 0.000 | [Flavanone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | 7,2'-Dimethoxy-4',5'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavanone | 6,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(2OMe, 1Hydroxymethyl, 1Methyl)-B(none) | Flavanone | 5-O-Methylleridol |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavanone | 5-Hydroxy-7,4'-dimethoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavanone | 5,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavanone | Betagarin |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavanone | 5,4'-Dimethoxy-6,7-methylenedioxyflavanone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(2OH) | Flavone | 5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone |
| 0.000 | [Flavone]-A(2OH, 1([@@]-Methylenedioxy))-B(1OMe) | Flavone | Kanzakiflavone 1 |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Propionyl)) | Dihydroflavonol | Pinobanksin 3-O-propionate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5-Dihydroxy-7-methoxyflavanone 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 6-Methypinobanksin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH) | Flavonol | Kaempferol 3,5,7-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe) | Flavonol | Kaempferol 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavonol | 8-Demethyllatifolin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavonol | 6,8-Di-C-methylkaempferol 7-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH) | Flavonol | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | Alnustin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Flavonol | 5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | 7-Hydroxy-3,5,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | Methylgnaphaliin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(none) | Flavonol | Platanin 3,7-dimethyl ether |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol (4-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | 4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | 5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Dalspinin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | 5,4'-Trihydroxy-3'-methoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavanone | 6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 2-Methoxypterocarpin |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 4-Methoxypterocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Acanthocarpan |
| 0.000 | [Pterocarpan-6-ol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6-ol | 6-Methoxypterocarpin |
| 0.000 | [UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene | Bryaquinone |
| 0.000 | [Pterocarpene]-A(1OMe)-B(1OH, 2OMe) | Pterocarpene | Bryacarpene 2 |
| 0.000 | [Pterocarpene]-A(1OH, 1OMe)-B(2OMe) | Pterocarpene | Bryacarpene 4 |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OH, 1OMe) | 4-phenylcoumarin | 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(1OMe) | 4-phenylcoumarin | Exostemin |