ピーク情報
|
イチョウ 葉
pos
|
| Peak #3814 MN MID: SE205_S01_M90 |
| m/z: 771.23635, RT: 41.06, 強度: 3600300, ログ強度: 3.01, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (14 names) Kaempferol 4'-methyl ether 3-(2Glc-glucosylrutinoside);3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-be... |
| DBごとのヒット数: ALL 10 KN 9 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.467 |
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 |
|---|---|---|---|---|
| C37H38O7N8S2 | 770.23049 | -1.840 | Colibactin | KEGG: C22668 |
| C34H42O20 | 770.22694 | 2.761 | Kaempferol 4'-methyl ether 3-(2Glc-glucosylrutinoside) | FlavonoidViewer: FL5FABGS0012 KNApSAcK: C00013820 LipidMAPS: LMPK12110559 |
| C34H42O20 | 770.22694 | 2.761 | Rhamnetin 3-O-rhamninoside | FlavonoidViewer: FL5FCCGS0007 HMDB: HMDB0304569 KNApSAcK: C00005518 LipidMAPS: LMPK12112617 |
| C34H42O20 | 770.22694 | 2.761 | Isorhamnetin 3-rutinoside-4'-rhamnoside | FlavonoidViewer: FL5FADGL0030 HMDB: HMDB0037748 KNApSAcK: C00005585 LipidMAPS: LMPK12112358 |
| C34H42O20 | 770.22694 | 2.761 | Isorhamnetin 3-rutinoside-7-rhamnoside | FlavonoidViewer: FL5FADGA0018, FL5FADGL0028 KNApSAcK: C00005577, C00005583 LipidMAPS: LMPK12112332, LMPK12112356 |
| C34H42O20 | 770.22694 | 2.761 | Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside | FlavonoidViewer: FL5FADGL0019 KNApSAcK: C00005570 LipidMAPS: LMPK12112347 |
| C34H42O20 | 770.22694 | 2.761 | Tamarixetin 3-rutinoside-7-rhamnoside | FlavonoidViewer: FL5FAEGL0004 KNApSAcK: C00005600 LipidMAPS: LMPK12112408 |
| C34H42O20 | 770.22694 | 2.761 | Isorhamnetin 3-O-[a-L-rhamnopyranosyl-(1->3)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] | HMDB: HMDB0039850 |
| C34H42O20 | 770.22694 | 2.761 | Peonidin 3-rutinoside-5-glucoside | FlavonoidViewer: [1]FL7AADGL0010 KNApSAcK: [1]C00006692 LipidMAPS: [1]LMPK12010241 |
| C34H42O20 | 770.22694 | 2.761 | Typhaneoside | FlavonoidViewer: FL5FADGA0014, FL5FADGL0022 HMDB: HMDB0039541 KNApSAcK: C00005568, C00005573 LipidMAPS: LMPK12112328, LMPK12112350 |
| C34H42O20 | 770.22694 | 2.761 | Kaempferol 7-methyl ether 3-neohesperidoside-4'-glucoside | FlavonoidViewer: FL5FCAGS0011 KNApSAcK: C00013814 LipidMAPS: LMPK12112583 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 771.23163 |
| Splash: splash10-014i-0009302000-45863cab0538d96efe03 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 317.14 | 95552 | 454 | 1000 |
| 625.02 | 26763 | 146 | 280 |
| 463.10 | 20384 | 308 | 213 |
| 479.07 | 12159 | 292 | 127 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 317.11023 |
| Splash: splash10-0udi-0159000000-31cc54cd50bfa489d9a6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 302.07 | 6400 | 15 | 1000 |
| 285.12 | 2325 | 32 | 363 |
| 257.12 | 594 | 60 | 92 |
| 139.00 | 583 | 178 | 91 |
| 261.18 | 541 | 56 | 84 |
| 165.02 | 516 | 152 | 80 |
| 271.09 | 388 | 46 | 60 |
| 298.99 | 355 | 18 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.467 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | 3'-O-Methylmelanoxetin |
| 0.467 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | Isorhamnetin |
| 0.467 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | Tamarixetin |
| 0.467 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | Milimorin |
| 0.389 | [Isoflavone]-A(2OH)-B(2OH, 1OMe) | Isoflavone | Junipegenin A |
| 0.333 | [Anthocyanidin]-A(2OH)-B(2OH, 1OMe) | Anthocyanidin | Petunidin |
| 0.333 | [Anthocyanidin]-A(1OH, 1OMe)-B(3OH) | Anthocyanidin | Pulchellidin |
| 0.316 | [Isoflavone]-A(3OH, 1OMe)-B(1OH) | Isoflavone | 5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone |
| 0.316 | [Isoflavone]-A(3OH)-B(1OH, 1OMe) | Isoflavone | 5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone |
| 0.294 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | 7-Methoxy-3,6,3',4'-tetrahydroxyflavone |
| 0.294 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | 3,7,3',4'-Tetrahydroxy-8-methoxyflavone |
| 0.294 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | Azaleatin |
| 0.294 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | Rhamnetin |
| 0.294 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | Vogeletin |
| 0.294 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Methoxykaempferol |
| 0.294 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,5,6,4'-Tetrahydroxy-7-methoxyflavone |
| 0.294 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,5,8,2'-Tetrahydroxy-7-methoxyflavone |
| 0.294 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | Pollenitin |
| 0.294 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | Sexangularetin |
| 0.294 | [Flavonol]-A(3OH)-B(1OMe) | Flavonol | 3,5,6,7-Tetrahydroxy-4'-methoxyflavone |
| 0.294 | [Flavonol]-A(3OH)-B(1OMe) | Flavonol | Herbacetin 4'-methyl ether |
| 0.214 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavanone | Cajanol |
| 0.214 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavanone | 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone |
| 0.214 | [Isoflavanone]-A(2OH)-B(2OMe) | Isoflavanone | Homoferreirin |
| 0.188 | [Flavanone]-A(2OH)-B(2OMe) | Flavanone | Eriodictyol 3',4'-dimethyl ether |
| 0.154 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Aromadendrin 7,4'-dimethyl ether |
| 0.154 | [Dihydroflavonol]-A(2OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5,7-dimethyl ether |
| 0.133 | [Isoflavanone]-A(1OH)-B(1OH, 2OMe) | Isoflavanone | 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone |
| 0.133 | [Isoflavanone]-A(1OH)-B(1OH, 2OMe) | Isoflavanone | Violanone |
| 0.133 | [Isoflavanone]-A(1OH)-B(1OH, 2OMe) | Isoflavanone | Lespedeol C |
| 0.133 | [2'-Hydroxychalcone]-A(3OH, 2OMe)-B(none) | 2'-Hydroxychalcone | 3',4',6'-Trihydroxy-2',5'-dimethoxychalcone |
| 0.133 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 2',4',4-Trihydroxy-3',3-methoxychalcone |
| 0.133 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,4',6'-Trihydroxy-4,2'-dimethoxychalcone |
| 0.133 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',6'-Trihydroxy-3,4'-dimethoxychalcone |
| 0.133 | [2'-Hydroxychalcone]-A(3OH)-B(2OMe) | 2'-Hydroxychalcone | Okanin 3,4-dimethyl ether |
| 0.118 | [Flavanone]-A(1OH, 2OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7-dimethoxyflavanone |
| 0.118 | [Flavanone]-A(1OH, 2OMe)-B(1OH) | Flavanone | Dihydroskullcap flavone I |
| 0.118 | [Flavanone]-A(1OH, 2OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-7,8-dimethoxyflavanone |
| 0.118 | [Flavanone]-A(2OH, 2OMe)-B(none) | Flavanone | Didymocarpin A |
| 0.118 | [Flavanone]-A(2OH, 1OMe)-B(1OMe) | Flavanone | 7,8-Dihydroxy-6,4'-dimethoxyflavanone |
| 0.118 | [Flavanone]-A(2OH, 1OMe)-B(1OMe) | Flavanone | 5,7-Dihydroxy-8,2'-dimethoxyflavanone |
| 0.118 | [Flavanone]-A(2OH, 1OMe)-B(1OMe) | Flavanone | 5,7-Dihydroxy-8,4'-dimethoxyflavanone |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 7,4'-Dihydroxy-8,3'-dimethoxyflavanone |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,5'-dimethoxyflavanone |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,2'-dimethoxyflavanone |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | Eriodictyol 5,4'-dimethyl ether |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | Eriodictyol 7,3'-dimethyl ether |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | Persicogenin |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,4'-dimethoxyflavanone |
| 0.100 | [Flavone]-A(2OH)-B(2OH, 1OMe) | Flavone | Tricetin 3'-methyl ether |
| 0.100 | [Flavone]-A(2OH)-B(2OH, 1OMe) | Flavone | Tricetin 4'-methyl ether |
| 0.100 | [Flavone]-A(1OH, 1OMe)-B(3OH) | Flavone | Tricetin 7-methyl ether |
| 0.100 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | Nodifloretin |
| 0.100 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | 6-Hydroxyluteolin 4'-methyl ether |
| 0.100 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Carajuflavone |
| 0.100 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Nepetin |
| 0.100 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Pedalitin |
| 0.100 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | Hypolaetin 3'-methyl ether |
| 0.100 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | Hypolaetin 4'-methyl ether |
| 0.100 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Onopordin |
| 0.077 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | 2,8-Dihydroxy-3,9-dimethoxypterocarpan |
| 0.077 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Mucronucarpan |
| 0.077 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Nissolicarpin |
| 0.077 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Melilotocarpan D |
| 0.077 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Melilotocarpan E |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1OMe)-B(2OH) | Dihydroflavonol | Fustin 3,7-dimethyl ether |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(1OMe) | Dihydrochalcone | Flavokawin A |
| 0.000 | [Dihydrochalcone]-A(none)-B(1OH, 3OMe) | Dihydrochalcone | 2-Hydroxy-3,4,6-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(none)-B(1OH, 3OMe) | Dihydrochalcone | 2-Hydroxy-4,5,6-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OMe)-B(1OH) | Dihydrochalcone | 4-Hydroxy-2',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(3OMe) | Dihydrochalcone | Loureirin B |
| 0.000 | [Dihydrochalcone]-A(1OH, 3OMe)-B(none) | Dihydrochalcone | 2'-Hydroxy-3',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 2OMe) | Pterocarpan | Philenopteran |
| 0.000 | [Aurone]-A(1OH, 1OMe)-B(3OH) | Aurone | Bracteatin 4-Methyl ether |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(1OH) | Dihydrochalcone | 4,2',6'-Trihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OMe)-B(1OMe) | Dihydrochalcone alpha-ol | O-Methylodoratol |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(2OH) | Flavanone | 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(2OH) | Flavanone | Cyrtominetin |
| 0.000 | [Flavanone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone |
| 0.000 | [2-Hydroxyflavanone]-A(1OH, 2OMe, 1Methyl)-B(none) | 2-Hydroxyflavanone | Mosloflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Dihydroflavonol | 3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | Crombeone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH) | Flavonol | 3-Methoxy-6,7,3',4'-tetrahydroxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH) | Flavonol | Transilitin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH) | Flavonol | Quercetin 3-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH) | Flavonol | Pinoquercetin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 8-C-Methylquercetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH) | Flavonol | 5,6,7,4'-Tetrahydroxy-3-methoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH) | Flavonol | 3-Methylherbacetin |
| 0.000 | [Flavan 4-ol]-A(2OMe)-B(1OMe) | Flavan 4-ol | 4-Hydroxy-5,7,4'-trimethoxyflavan |
| 0.000 | [Flavan 4-ol]-A(2OH, 2Methyl)-B(1OMe) | Flavan 4-ol | 4,5,7-Trihydroxy-4'-methoxy-6,8-dimethylflavan |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | 7-O-Methylpeltogynol |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(2OMe) | Flavan | 2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(2OMe) | Flavan | 5-Hydroxy-7,3',4'-trimethoxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(1OH, 1OMe) | Flavan | 4'-Hydroxy-5,7,3'-trimethoxyflavan |
| 0.000 | [Isoflavanone]-A(1OH, 1OMe, 1Methyl)-B(2OH) | Isoflavanone | Ougenin |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Pendulone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Mucroquinone |
| 0.000 | [isoflavan-4-ol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(none) | isoflavan-4-ol | Lapathinol |
| 0.000 | [isoflavene]-A(2OH)-B(1OH, 2OMe) | isoflavene | 6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | 6a,7-Dihydroxymaackiain |
| 0.000 | [12a-Hydroxyrotenone]-A(2OH)-B(1OH) | 12a-Hydroxyrotenone | 4,9,11,12a-Tetrahydroxyrotenoid |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(3OH) | 4-phenylcoumarin | 5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin |
| 0.000 | [Dalbergiquinol]-A(1OH, 3OMe)-B(1OH) | Dalbergiquinol | Kuhlmanniquinol |
| Level: 3, プリカーサーm/z: 625.16089 |
| Splash: splash10-01t9-0002900000-55357a5c609dee9c5cb5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 479.16 | 2056 | 146 | 1000 |
| 463.08 | 1223 | 162 | 594 |
| 317.15 | 1023 | 308 | 497 |
| 461.22 | 441 | 164 | 214 |
| 359.15 | 361 | 266 | 175 |
| 445.21 | 350 | 180 | 170 |
| 427.32 | 192 | 198 | 93 |
| 571.10 | 150 | 54 | 73 |
| 503.29 | 118 | 122 | 57 |
| 505.33 | 105 | 120 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe) | Flavone | Stellarin 2 |
| 0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe) | Flavone | 6,8-Di-C-glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-(E)-ferulate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH) | Flavone | 2''-O-Feruloylorientin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH) | Flavone | Orientin 6''-O-ferulate |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | 3-substituted Flavone | 3,8-Di-C-glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6-C-Glucopyranosyl-8-C-arabinopyranosyltricin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6-C-Arabinopyranosyl-8-C-glucopyranosyltricin |