ピーク情報
|
イチョウ 葉
pos
|
| Peak #4057 MN MID: SE205_S01_M90 |
| m/z: 641.17099, RT: 42.65, 強度: 2170190, ログ強度: 2.79, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (45 names) Nervilifordin C;(-)-Nervilifordin C;Ranupenin 3-rutinoside;Isorhamnetin 3,7-diglucoside;Isorhamnetin 3-sophoroside;Rhamnetin 3-laminaribioside;Laricitrin 3-rutinoside;Quercetagetin 7-methyl ether 3-ne... |
| DBごとのヒット数: ALL 35 KN 35 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.632 |
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 |
|---|---|---|---|---|
| C28H32O17 | 640.16395 | -0.369 | Nervilifordin C | FlavonoidViewer: FL5FCCGA0002 KNApSAcK: C00005510, C00047527 LipidMAPS: LMPK12112599 |
| C28H32O17 | 640.16395 | -0.369 | Ranupenin 3-rutinoside | FlavonoidViewer: FL5FFCGL0005 HMDB: HMDB0037358 KNApSAcK: C00005701 LipidMAPS: LMPK12113184 |
| C28H32O17 | 640.16395 | -0.369 | Isorhamnetin 3,7-diglucoside | FlavonoidViewer: FL5FADGA0008, FL5FADGL0014 HMDB: HMDB0303009, HMDB0303593 KNApSAcK: C00005552, C00005556 LipidMAPS: LMPK12112322, LMPK12112342 |
| C28H32O17 | 640.16395 | -0.369 | Isorhamnetin 3-sophoroside | FlavonoidViewer: FL5FADGA0003, FL5FADGL0007 HMDB: HMDB0303622 KNApSAcK: C00005534, C00005544 LipidMAPS: LMPK12110582, LMPK12112317 |
| C28H32O17 | 640.16395 | -0.369 | Quercetin 7-methyl ether 3-laminaribioside | FlavonoidViewer: FL5FCCGS0009 HMDB: HMDB0031655 KNApSAcK: C00013905 LipidMAPS: LMPK12112619 |
| C28H32O17 | 640.16395 | -0.369 | Laricitrin 3-rutinoside | FlavonoidViewer: FL5FAHGL0002 KNApSAcK: C00005765 LipidMAPS: LMPK12112472 |
| C28H32O17 | 640.16395 | -0.369 | Haploside F | FlavonoidViewer: FL5FFCGS0013 KNApSAcK: C00005710 LipidMAPS: LMPK12113206 |
| C28H32O17 | 640.16395 | -0.369 | Quercetagetin 7-methyl ether 3-neohesperidoside | FlavonoidViewer: FL5FECGS0062 KNApSAcK: C00013951 LipidMAPS: LMPK12112966 |
| C28H32O17 | 640.16395 | -0.369 | 8-Hydroxyluteolin 4'-methyl ether 7-allosyl-(1->2)-glucoside | FlavonoidViewer: FL3FFCGS0013 KNApSAcK: C00004431 LipidMAPS: LMPK12111382 |
| C28H32O17 | 640.16395 | -0.369 | 6-Hydroxyluteolin 3'-methyl ether 7-sophoroside | FlavonoidViewer: FL3FECGS0026 KNApSAcK: C00004405 LipidMAPS: LMPK12111199 |
| C28H32O17 | 640.16395 | -0.369 | Haplogenin 3-rutinoside | FlavonoidViewer: FL5FFCGL0008 KNApSAcK: C00005709 LipidMAPS: LMPK12113187 |
| C28H32O17 | 640.16395 | -0.369 | Isorhamnetin 7-sophoroside | FlavonoidViewer: FL5FADGS0016 KNApSAcK: C00005563 LipidMAPS: LMPK12112373 |
| C28H32O17 | 640.16395 | -0.369 | Herbacetin 7-methyl ether 8-sophoroside | FlavonoidViewer: FL5FFAGS0027 KNApSAcK: C00013830 LipidMAPS: LMPK12113141 |
| C28H32O17 | 640.16395 | -0.369 | Petunidin 3-gentiobioside | FlavonoidViewer: [1]FL7AAHGL0003 HMDB: [1]HMDB0038096 KNApSAcK: [1]C00006726 LipidMAPS: [1]LMPK12010351 |
| C28H32O17 | 640.16395 | -0.369 | 8-Hydroxyluteolin 3'-methyl ether 7-sophoroside | FlavonoidViewer: FL3FFCGS0012, FL3FFCGS0020 KNApSAcK: C00004430, C00004520 LipidMAPS: LMPK12111381 |
| C28H32O17 | 640.16395 | -0.369 | Tamarixetin 3,7-diglucoside | FlavonoidViewer: FL5FAEGL0003 KNApSAcK: C00005597 LipidMAPS: LMPK12112407 |
| C28H32O17 | 640.16395 | -0.369 | Rhamnetin 3-galactoside-4'-glucoside | FlavonoidViewer: FL5FCCGA0006 KNApSAcK: C00005517 LipidMAPS: LMPK12112603 |
| C28H32O17 | 640.16395 | -0.369 | Rhamnetin 3-mannosyl-(1->2)-alloside | FlavonoidViewer: FL5FCCGS0005 HMDB: HMDB0038303 KNApSAcK: C00005509 LipidMAPS: LMPK12112615 |
| C28H32O17 | 640.16395 | -0.369 | Petunin | FlavonoidViewer: [1]FL7AAHGL0005 HMDB: [1]HMDB0030806 KNApSAcK: [1]C00006728 |
| C28H32O17 | 640.16395 | -0.369 | Axillarin 5-alpha-L-arabinosyl-(1->6)-glucoside | FlavonoidViewer: FL5FECGS0065 KNApSAcK: C00013954 LipidMAPS: LMPK12112969 |
| C28H32O17 | 640.16395 | -0.369 | Rhamnetin 3-galactosyl-(1->6)-galactoside | FlavonoidViewer: FL5FCCGA0003, FL5FCCGS0010 KNApSAcK: C00005511, C00013906 LipidMAPS: LMPK12112600, LMPK12112620 |
| C28H32O17 | 640.16395 | -0.369 | Corniculatusin 3-robinobioside | FlavonoidViewer: FL5FFCGA0005 KNApSAcK: C00005706 LipidMAPS: LMPK12113178 |
| C28H32O17 | 640.16395 | -0.369 | Patuletin-3-robinobioside | FlavonoidViewer: FL5FECGA0002, FL5FECGL0005 KNApSAcK: C00005645, C00005647 LipidMAPS: LMPK12112887, LMPK12112894 |
| C28H32O17 | 640.16395 | -0.369 | Sexangularetin 3-sophoroside | FlavonoidViewer: FL5FFAGL0005 HMDB: HMDB0038771 KNApSAcK: C00005357 LipidMAPS: LMPK12113108 |
| C28H32O17 | 640.16395 | -0.369 | Isorhamnetin 3-galactoside-4'-glucoside | FlavonoidViewer: FL5FADGA0010, FL5FADGL0016 HMDB: HMDB0037374 KNApSAcK: C00005560, C00005561 LipidMAPS: LMPK12112324, LMPK12112344 |
| C28H32O17 | 640.16395 | -0.369 | Sexangularetin 3,7-diglucoside | FlavonoidViewer: FL5FFAGL0008 KNApSAcK: C00005360 LipidMAPS: LMPK12113111 |
| C28H32O17 | 640.16395 | -0.369 | Isorhamnetin 3-gentiobioside | FlavonoidViewer: FL5FADGA0005, FL5FADGL0006, FL5FADGL0009 HMDB: HMDB0244790, HMDB0302355 KNApSAcK: C00005536, C00005543, C00005546 LipidMAPS: LMPK12110581, LMPK12110584, LMPK12112319 |
| C28H32O17 | 640.16395 | -0.369 | Petunidin 3,7-di-glucoside | FlavonoidViewer: [1]FL7AAHGL0021 KNApSAcK: [1]C00014860 LipidMAPS: [1]LMPK12010368 |
| C28H32O17 | 640.16395 | -0.369 | 6-Hydroxyluteolin 4'-methyl ether 7-allosyl-(1->2)-glucoside | FlavonoidViewer: FL3FECGS0027 KNApSAcK: C00004408 LipidMAPS: LMPK12111200 |
| C28H32O17 | 640.16395 | -0.369 | Isorhamnetin 3-laminaribioside | FlavonoidViewer: FL5FADGA0004, FL5FADGL0008 HMDB: HMDB0041383 KNApSAcK: C00005535, C00005545 LipidMAPS: LMPK12110583, LMPK12112318 |
| C28H32O17 | 640.16395 | -0.369 | Isorhamnetin 3-lactoside | FlavonoidViewer: FL5FADGL0005 KNApSAcK: C00005542 LipidMAPS: LMPK12110580 |
| C28H32O17 | 640.16395 | -0.369 | Quercetin 3-methyl ether 7-galactosyl-(1->4)-glucoside | FlavonoidViewer: FL5FDCGS0015 HMDB: HMDB0039901 KNApSAcK: C00013902 LipidMAPS: LMPK12112714 |
| C28H32O17 | 640.16395 | -0.369 | Madreselvin A | FlavonoidViewer: FL5FDCGS0014 KNApSAcK: C00013901 LipidMAPS: LMPK12112713 |
| C28H32O17 | 640.16395 | -0.369 | Tamarixetin 3-glucosyl-(1->2)-galactoside | FlavonoidViewer: FL5FAEGA0002 KNApSAcK: C00005594 LipidMAPS: LMPK12112402 |
| C28H32O17 | 640.16395 | -0.369 | Petunidin 3-sophoroside | FlavonoidViewer: [1]FL7AAHGL0002 KNApSAcK: [1]C00006725 LipidMAPS: [1]LMPK12010350 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 641.16974 |
| Splash: splash10-001i-0009100000-0e805e2db8edfe2acc53 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 333.12 | 121578 | 308 | 1000 |
| 495.09 | 21433 | 146 | 176 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 333.12265 |
| Splash: splash10-0gb9-0589000000-33f92a6d078b10ea539b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 318.08 | 14245 | 15 | 1000 |
| 277.09 | 9303 | 56 | 653 |
| 301.15 | 7327 | 32 | 514 |
| 273.05 | 6130 | 60 | 430 |
| 164.95 | 4575 | 168 | 321 |
| 287.14 | 4371 | 46 | 306 |
| 315.11 | 3925 | 18 | 275 |
| 139.00 | 3736 | 194 | 262 |
| 152.93 | 3047 | 180 | 213 |
| 166.88 | 2281 | 166 | 160 |
| 304.20 | 1920 | 29 | 134 |
| 178.96 | 1800 | 154 | 126 |
| 259.20 | 1487 | 74 | 104 |
| 241.05 | 1428 | 92 | 100 |
| 245.06 | 1296 | 88 | 90 |
| 255.00 | 1086 | 78 | 76 |
| 193.09 | 796 | 140 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.722 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Laricitrin |
| 0.722 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Mearnsetin |
| 0.632 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Myricetin 5-methyl ether |
| 0.632 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Europetin |
| 0.348 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Allopatuletin |
| 0.348 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Patuletin |
| 0.348 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Quercetagetin 7-methyl ether |
| 0.348 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Ranupetin |
| 0.348 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Corniculatusin |
| 0.348 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3'-methyl ether |
| 0.348 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 4'-methyl ether |
| 0.348 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Haplogenin |
| 0.217 | [Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavanone | Dihydrotricetin 7,3'-dimethyl ether |
| 0.217 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.217 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.182 | [Isoflavanone]-A(2OH)-B(1OH, 2OMe) | Isoflavanone | Parvisoflavanone |
| 0.091 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,3'-dimethyl ether |
| 0.091 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,4'-dimethyl ether |
| 0.091 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone |
| 0.077 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | Dioclein |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.053 | [Flavone]-A(2OH, 1OMe)-B(3OH) | Flavone | 3',4',5'-Trihydroxywogonin |
| 0.053 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone |
| 0.053 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,6,7,3',4'-Pentahydroxy-8-methoxyflavone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-8,4'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Duartin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Isoduartin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 3OMe) | Isoflavan | Lonchocarpan |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | Dihydropedicin |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | 3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,3'-trimethyl ether |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,4'-trimethyl ether |
| 0.000 | [CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone | Crombenin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(3OH) | Flavonol | Annulatin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Pinomyricetin |
| 0.000 | [Flavonol]-A(2OH)-B(3OH, 1Methyl) | Flavonol | 2'-C-Methylmyricetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Quercetagetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Gossypetin 3-methyl ether |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(none) | 4-substituted Flavan 3-ol | 3'-Deoxydryopteric acid |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OMe) | Flavan 4-ol | 4,5,7-Trihydroxy-4'-methoxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Flavan 3,4-diol]-A(1OMe)-B(2OMe) | Flavan 3,4-diol | Fisetinidol-4beta-ol 7,3',4'-trimethyl ether |
| Level: 3, プリカーサーm/z: 495.08966 |
| Splash: splash10-0059-0009500000-5b8eef9790e6924cf3b1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 333.17 | 6173 | 162 | 1000 |
| 477.14 | 4739 | 18 | 767 |
| 375.15 | 4661 | 120 | 754 |
| 459.26 | 1104 | 36 | 178 |
| 399.15 | 1035 | 96 | 167 |
| 357.15 | 939 | 138 | 152 |
| 441.24 | 825 | 54 | 133 |
| 429.24 | 702 | 66 | 113 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(3OH, 1Geranyl)-B(2OH, 1(C-Prenyl)) | Dihydrochalcone | 2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone |