ピーク情報
|
（しょうが類） しょうが 根茎 生
pos
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| Peak #5743 MN MID: SE115_S061031_M90 |
| m/z: 408.20280, RT: 55.02, 強度: 14527, ログ強度: 0.69, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (31 names) Tryptophyl-Tryptophan;Rosmic acid;Salvinorin B;(-)-Salvinorin B;(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol;Siamenol A;Linearilobin D;Si... |
| DBごとのヒット数: ALL 26 KG 1 KN 19 HM 4 LM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.083 |
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 |
|---|---|---|---|---|
| C22H22O3N4 | 390.16919 | -0.542 | Tryptophyl-Tryptophan | HMDB: HMDB0029094 |
| C21H26O7 | 390.16785 | 2.885 | Rosmic acid | HMDB: HMDB0032082 |
| C21H26O7 | 390.16785 | 2.885 | Salvinorin B | KNApSAcK: C00034670 |
| C21H26O7 | 390.16785 | 2.885 | (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol | HMDB: HMDB0030502 |
| C21H26O7 | 390.16785 | 2.885 | Siamenol A | KNApSAcK: C00031375 |
| C21H26O7 | 390.16785 | 2.885 | Siamenol B | KNApSAcK: C00031376 |
| C21H26O7 | 390.16785 | 2.885 | Linearilobin D | KNApSAcK: C00012274 |
| C21H26O7 | 390.16785 | 2.885 | LipidMAPS: LMPR0103090031, LMPR0103090032 |
|
| C21H26O7 | 390.16785 | 2.885 | 5-methoxy-trans-dihydrodehydrodiconiferyl alcohol | KNApSAcK: C00000685 |
| C21H26O7 | 390.16785 | 2.885 | Erioflorin acetate | KEGG: C09412 KNApSAcK: C00003260 |
| C21H26O7 | 390.16785 | 2.885 | Nudaphantin | KNApSAcK: C00011747 |
| C21H26O7 | 390.16785 | 2.885 | Arctigenic acid | HMDB: HMDB0248567 |
| C21H26O7 | 390.16785 | 2.885 | Linearilobin H | KNApSAcK: C00012278 |
| C21H26O7 | 390.16785 | 2.885 | Stilbostemin B 3'-beta-D-glucopyranoside | KNApSAcK: C00041895 |
| C21H26O7 | 390.16785 | 2.885 | Pilatin | KNApSAcK: C00017636 |
| C21H26O7 | 390.16785 | 2.885 | [3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid | KNApSAcK: C00020862, C00020864 |
| C21H26O7 | 390.16785 | 2.885 | Norcaesalpinin F | KNApSAcK: C00030833 |
| C21H26O7 | 390.16785 | 2.885 | Lunatoic acid B | KNApSAcK: C00053445 |
| C21H26O7 | 390.16785 | 2.885 | Salvinorin H | KNApSAcK: C00041826 |
| C21H26O7 | 390.16785 | 2.885 | Pseudolaric acid C | KNApSAcK: C00049280 |
| C21H26O7 | 390.16785 | 2.885 | Amarin | KNApSAcK: C00011819 |
| C21H26O7 | 390.16785 | 2.885 | Clementein | KNApSAcK: C00020991, C00020992 |
| C21H26O7 | 390.16785 | 2.885 | LipidMAPS: LMPR0103090016 |
|
| C21H26O7 | 390.16785 | 2.885 | Sphaerocephalin | KNApSAcK: C00011873 |
| C21H26O7 | 390.16785 | 2.885 | 5'-Methoxylariciresinol | KNApSAcK: C00050731 |
| C21H26O7 | 390.16785 | 2.885 | Linearilobin E | KNApSAcK: C00012275 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 408.20120 |
| Splash: splash10-0006-0009000000-93e1681e082b348e5783 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 390.91 | 6867 | 17 | 1000 |
| 373.16 | 928 | 35 | 135 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 373.15720 |
| Splash: splash10-03di-0439000000-965876e115c7ddc1c529 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 313.19 | 178 | 60 | 1000 |
| 149.00 | 72 | 224 | 404 |
| 203.18 | 59 | 170 | 332 |
| 337.12 | 40 | 36 | 224 |
| 163.11 | 29 | 210 | 162 |
| 277.59 | 15 | 96 | 83 |
| 692.19 | 13 | -319 | 73 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.038 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,3',4',5'-Pentamethoxyisoflavone |
| 0.038 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',3',4'-Pentamethoxyisoflavone |
| 0.038 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',4',5'-Pentamethoxyisoflavone |
| 0.038 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | Robustigenin methyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Prosogerin C |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 7,8,3',4',5'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,6,2',3',6'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Cerosilin B |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,6,2',3',4'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Tricetin 5,7,3',4',5'-pentamethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,7,2',3',4'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,7,2',4',6'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(2OMe) | Flavone | Sinensetin |
| 0.000 | [Flavone]-A(3OMe)-B(2OMe) | Flavone | Isosinensetin |
| 0.000 | [Flavone]-A(4OMe)-B(1OMe) | Flavone | Tangeretin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | 6-Prenyltaxifolin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano))) | 2'-Hydroxychalcone | Lophirone E |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(1([@@]-Methylenedioxy))-B(3OMe) | beta-Hydroxy(or Oxodihydro)chalcone | 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone |
| 0.000 | [Flavanone]-A(1OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano))) | Flavanone | 7-Hydroxy-(5-(p-Hydroxyphenyl)furano)[2,3:4',3'])flavanone |
| 0.000 | [Flavanone]-A(2OH, 1((E)-4-Hydroxyprenyl))-B(2OH) | Flavanone | Licoleafol |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Sigmoidin D |
| 0.000 | [3-substituted Flavone (3-(3-Methylbutyl))]-A(2OH)-B(3OH) | 3-substituted Flavone | Asplenetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OMe) | Flavonol | Auranetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(2OMe) | Flavonol | 3,5,7,2',6'-Pentamethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | 6-(3-hydroxy-3-methylbutyl)kaempferol |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | Noricaritin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(2OMe) | Flavonol | Quercetin pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(2OMe) | Flavonol | 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melisimplin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OMe) | Flavonol | Herbacetin pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(none) | Flavonol | 3,5,6,7,8-Pentamethoxyflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 3,4,7,4'-Tetrahydroxy-5-methoxy-8-prenylflavan |
| 0.000 | [Isoflavone]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitone hydrate |
| 0.000 | [Isoflavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavanone | Kievitol |
| 0.000 | [6-Hydroxydehydrorotenone]-A(3OH)-B(1OH)-C(1(O-Acetyl)) | 6-Hydroxydehydrorotenone | 3,6,9,10,11-Pentahydroxydehydrorotenone 6-O-acetate |
| 0.000 | [6-Hydroxydehydrorotenone]-A(1OH, 1OMe)-B(2OMe) | 6-Hydroxydehydrorotenone | Stemonal |
| Level: 3, プリカーサーm/z: 390.90897 |
| Splash: splash10-00di-0009000000-16225a97fc5a33ba92ea |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 373.20 | 64 | 18 | 1000 |
| 313.31 | 30 | 78 | 463 |
| 372.47 | 13 | 18 | 202 |
| 344.27 | 8 | 47 | 132 |
| 347.47 | 6 | 43 | 93 |
| 272.44 | 6 | 118 | 93 |
| 149.06 | 5 | 242 | 79 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.083 | [Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavone | Gardenin E |
| 0.083 | [Flavone]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavone | Scaposin |
| 0.083 | [Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavone | Agecorynin D |
| 0.059 | [Flavanone]-A(1OH, 2OMe)-B(3OMe) | Flavanone | 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone |
| 0.045 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol E |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,4'-Trihydroxy-6,7,8,3'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(2OMe) | Flavonol | 3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Lespeol |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Anthyllisone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Paratocarpin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([3,4,5:@@@]-(1,7,7-Trimethyl-2,6-dioxa-tricyclo[6.2.2.0(4,9)]dodecene)))-B(none) | 2'-Hydroxychalcone | Rubranine |
| 0.000 | [Flavanone]-A(1OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinone III |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a5 |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Dinklagin A |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Flavanone | Shinflavanone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Fulvinervin A |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Apuleitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,5'-Trihydroxy-3,6,2',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5-O-Demethylapulein |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,7,8,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Hibiscetin 3,8,3',4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH) | Flavonol | 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,3'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH) | Flavonol | 5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Hispaglabridin B |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(3OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone B |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Folitenol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Folinin |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Erybraedin D |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Erybraedin B |
| 0.000 | [Pterocarpene]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpene | Erycristagallin |
| 0.000 | [6,12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe) | 6,12a-Hydroxyrotenone | Clitoriacetal |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Butyroyl)-B(none) | 4-phenylcoumarin | 6-Butyryl-5-hydroxy-4-phenylseselin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Isobutyroyl)-B(none) | 4-phenylcoumarin | Mesuagin |
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 |
|---|