ピーク情報
|
ゼニゴケ Takaragaike-1
pos
|
| Peak #2623 MN MID: SE205_S05_M90 |
| m/z: 441.16948, RT: 77.51, 強度: 171002, ログ強度: 1.83, 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: (6 names) Marchantin A;Neomarchantin B;Marchantin H;7',8'-Dehydroperrottetin F;2,2-Dimethylpropanoyloxymethyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3R)-5-oxopyrrolidin-3-yl]sulfanyl-1-azabicyclo... |
| DBごとのヒット数: ALL 6 KG 1 KN 3 HM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.057 |
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 |
|---|---|---|---|---|
| C28H24O5 | 440.16237 | -0.388 | Marchantin A | KEGG: C10270 KNApSAcK: C00002890 |
| C28H24O5 | 440.16237 | -0.388 | Marchantin H | KNApSAcK: C00015815 |
| C28H24O5 | 440.16237 | -0.388 | Neomarchantin B | KNApSAcK: C00015827 |
| C28H24O5 | 440.16237 | -0.388 | 7',8'-Dehydroperrottetin F | KNApSAcK: C00015680 |
| C20H28O7N2S | 440.16172 | 1.092 | 2,2-Dimethylpropanoyloxymethyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3R)-5-oxopyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | HMDB: HMDB0250554 |
| C21H29O8P | 440.16001 | 4.991 | Metreton | HMDB: HMDB0254683 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 441.16913 |
| Splash: splash10-01ta-0097000000-2507263e5ee30ed18388 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 347.15 | 46069 | 94 | 1000 |
| 227.04 | 44289 | 214 | 961 |
| 210.98 | 28614 | 230 | 621 |
| 329.10 | 21986 | 112 | 477 |
| 348.12 | 13547 | 93 | 294 |
| 229.05 | 12530 | 212 | 271 |
| 213.09 | 12475 | 228 | 270 |
| 212.09 | 12215 | 229 | 265 |
| 224.98 | 11307 | 216 | 245 |
| 239.22 | 11203 | 202 | 243 |
| 301.08 | 10897 | 140 | 236 |
| 335.18 | 10717 | 106 | 232 |
| 423.23 | 9989 | 18 | 216 |
| 208.98 | 9786 | 232 | 212 |
| 333.18 | 8727 | 108 | 189 |
| 319.10 | 8192 | 122 | 177 |
| 311.16 | 7456 | 130 | 161 |
| 241.02 | 7158 | 200 | 155 |
| 255.10 | 6100 | 186 | 132 |
| 228.11 | 5765 | 213 | 125 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.032 | [Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH) | Dihydroflavonol | Kushenol L |
| 0.030 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH) | Flavanone | Kenusanone B |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Dihydrochalcone | 3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH) | Dihydrochalcone | 3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl)) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone |
| 0.000 | [Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH) | Flavanone | Lonchocarpol E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH) | Flavanone | 2'',3''-Dihydroxylupinifolin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH) | Flavanone | Dorsmanin H |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | Dorsmanin F |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | Dorsmanin G |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Abyssinoflavanone V |
| 0.000 | [Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Abyssinoflavanone VI |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(3OH) | Flavanone | Sophoraflavanone D |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(3OH) | Flavanone | Sophoraflavanone E |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone C |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone G |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH) | Dihydroflavonol | Diplacol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH) | Dihydroflavonol | Kushenol X |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene))) | Flavan 3-ol | Amurensisin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyerythynone |
| Level: 3, プリカーサーm/z: 227.04077 |
| Splash: splash10-0a4j-0960000000-f555c3ebe7575a595bd8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 209.05 | 3813 | 18 | 1000 |
| 199.09 | 3149 | 28 | 825 |
| 181.07 | 1663 | 46 | 436 |
| 152.97 | 241 | 74 | 63 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavan]-A(1OH)-B(none) | Flavan | 7-Hydroxyflavan |
| Level: 3, プリカーサーm/z: 347.12665 |
| Splash: splash10-03fr-0197000000-2ed9abbf5e55a775c686 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 329.16 | 1858 | 18 | 1000 |
| 311.14 | 1445 | 36 | 777 |
| 211.08 | 1047 | 136 | 563 |
| 137.12 | 613 | 210 | 329 |
| 226.09 | 587 | 121 | 316 |
| 213.25 | 580 | 134 | 312 |
| 225.34 | 556 | 122 | 299 |
| 300.94 | 513 | 46 | 276 |
| 319.14 | 422 | 28 | 226 |
| 241.01 | 324 | 106 | 174 |
| 224.19 | 313 | 123 | 168 |
| 239.15 | 303 | 108 | 162 |
| 207.06 | 279 | 140 | 150 |
| 237.12 | 269 | 110 | 144 |
| 240.16 | 225 | 107 | 120 |
| 210.06 | 201 | 137 | 108 |
| 292.27 | 188 | 55 | 100 |
| 160.96 | 173 | 186 | 93 |
| 222.88 | 165 | 124 | 88 |
| 253.05 | 153 | 94 | 82 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.107 | [Flavanone]-A(2OH, 2OMe)-B(1OMe) | Flavanone | 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.074 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OH) | 2'-Hydroxychalcone | Hamilcone |
| 0.059 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Eupatolitin |
| 0.059 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Zanthoxyl flavone |
| 0.033 | [Flavanone]-A(1OH, 3OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7,8-trimethoxyflavanone |
| 0.033 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone |
| 0.033 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone |
| 0.033 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone |
| 0.033 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | Agestricin D |
| 0.033 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone |
| 0.033 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.029 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Inucrithmin |
| 0.029 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Myricetin 7,4'-dimethyl ether |
| 0.029 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Myricetin 3',4'-dimethyl ether |
| 0.029 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Syringetin |
| 0.029 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Viscidulin III |
| 0.029 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Spinacetin |
| 0.029 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Laciniatin |
| 0.029 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 7,3'-dimethyl ether |
| 0.029 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3',8-dimethyl ether |
| 0.029 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 7,4'-dimethyl ether |
| 0.029 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Limocitrin |
| 0.029 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 8,4'-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OH) | Flavone | 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | Ganhuangenin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | Leucanthogenin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Dihydrochalcone]-A(1OH, 4OMe)-B(none) | Dihydrochalcone | Dihydrokanakugiol |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Dihydrochalcone | 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | Taxifolin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Myricetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Artemexitin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH, 1OMe) | Flavonol | Dumosol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Alluaudiol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Axillarin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Tomentin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,8-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(1OH) | Flavonol | 5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavan 3,4-diol | 3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Amorphaquinone |