ピーク情報
|
ヒメツリガネゴケ 茎葉体（ガメトフォア）
pos
|
| Peak #4238 MN MID: SE205_S04_M90 |
| m/z: 527.37315, RT: 94.87, 強度: 4818, ログ強度: 0.26, 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: (8 names) Fomlactone A;Morinin J;Leptofuranin B;3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid;Versisponic acid C;(+)-Versisponic acid C;Dehydropachymic acid;1-eicosyl-glycero-3-phospho-(1'-sn-glycerol) |
| DBごとのヒット数: ALL 7 KN 5 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.120 |
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 |
|---|---|---|---|---|
| C33H50O5 | 526.36582 | 0.087 | Fomlactone A | KNApSAcK: C00044760 |
| C33H50O5 | 526.36582 | 0.087 | Morinin J | KNApSAcK: C00049491 |
| C33H50O5 | 526.36582 | 0.087 | Leptofuranin B | KNApSAcK: C00016268 |
| C33H50O5 | 526.36582 | 0.087 | 3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid | HMDB: HMDB0036673 |
| C33H50O5 | 526.36582 | 0.087 | Versisponic acid C | KNApSAcK: C00033475 |
| C33H50O5 | 526.36582 | 0.087 | Dehydropachymic acid | KNApSAcK: C00024045, C00030104 |
| C26H55O8P | 526.36346 | 4.586 | 1-eicosyl-glycero-3-phospho-(1'-sn-glycerol) | LipidMAPS: LMGP04060001 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 527.37268 |
| Splash: splash10-0a4r-0001980000-86e9fd4d3278a3448257 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 509.47 | 890 | 18 | 1000 |
| 435.41 | 568 | 92 | 638 |
| 417.37 | 205 | 110 | 229 |
| 453.49 | 95 | 74 | 106 |
| 499.41 | 55 | 28 | 61 |
| 337.38 | 51 | 190 | 57 |
| 399.44 | 47 | 128 | 52 |
| 333.31 | 45 | 194 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none) | 2'-Hydroxychalcone | Kurzichalcolactone |
| 0.000 | [Flavanone]-A(1OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none) | Flavanone | Kurziflavolactone A |
| 0.000 | [Flavanone]-A(1OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none) | Flavanone | Kurziflavolactone C |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(3-Hydroxy-3-methylbutyl), 1Lavandulyl)-B(2OH) | Dihydroflavonol | Kosamol A |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(2,4,6-Trihydroxy-3-isobutyryl-5-methylbenzyl))-B(2OH) | Flavan 3-ol | Pilosanol B |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(3-Butyryl-2,4,6-trihydroxy-5-methylbenzyl))-B(2OH) | Flavan 3-ol | Pilosanol C |
| Level: 3, プリカーサーm/z: 509.46753 |
| Splash: splash10-000i-0010900000-a0ac8bbee1651a7dcc4d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 435.45 | 153 | 74 | 1000 |
| 453.37 | 74 | 56 | 480 |
| 491.53 | 73 | 18 | 476 |
| 417.43 | 43 | 92 | 279 |
| 473.64 | 29 | 36 | 186 |
| 407.28 | 25 | 102 | 164 |
| 275.35 | 15 | 234 | 95 |
| 425.56 | 14 | 84 | 91 |
| 265.26 | 14 | 244 | 88 |
| 211.01 | 12 | 298 | 77 |
| 277.41 | 12 | 232 | 77 |
| 251.12 | 11 | 258 | 70 |
| 339.33 | 9 | 170 | 58 |
| 307.35 | 9 | 202 | 57 |
| 319.28 | 8 | 190 | 51 |
| 481.66 | 8 | 28 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.167 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl)) | Dihydroflavonol | Petalostemumol |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(2OH, 1Geranyl) | Flavanone | Tanariflavanone A |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone J |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(3OH) | Flavanone | Tomentosanol E |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(2OH) | Dihydroflavonol | Kushenol M |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl) | Dihydroflavonol | Sanggenol K |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH, 1(C-Prenyl), 1Geranyl) | Dihydroflavonol | Sanggenol D |
| Level: 3, プリカーサーm/z: 435.40936 |
| Splash: splash10-014i-0159600000-86d0177104fb3ff72a44 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 417.40 | 117 | 18 | 1000 |
| 399.35 | 35 | 36 | 301 |
| 209.21 | 25 | 226 | 213 |
| 267.23 | 20 | 168 | 166 |
| 301.31 | 19 | 134 | 158 |
| 337.43 | 17 | 98 | 148 |
| 347.04 | 17 | 88 | 140 |
| 369.47 | 14 | 66 | 123 |
| 255.32 | 14 | 180 | 118 |
| 199.41 | 14 | 236 | 116 |
| 239.28 | 13 | 196 | 109 |
| 351.38 | 12 | 84 | 102 |
| 323.37 | 12 | 112 | 101 |
| 279.15 | 10 | 156 | 82 |
| 361.38 | 9 | 74 | 79 |
| 321.43 | 8 | 114 | 70 |
| 263.10 | 8 | 172 | 69 |
| 365.59 | 8 | 70 | 68 |
| 156.79 | 8 | 279 | 66 |
| 335.12 | 7 | 100 | 60 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.148 | [Flavanone]-A(4OMe)-B(3OMe) | Flavanone | 5,6,7,8,3',4',5'-Heptamethoxyflavanone |
| 0.107 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.074 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 3OMe) | Flavone | Agehoustin D |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(4OMe) | beta-Hydroxy(or Oxodihydro)chalcone | beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(2OH) | Flavanone | Palodulcin B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Hemiphloin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Isohemiphloin |
| 0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxyphenyl)-dihydro[1,4]dioxinyl))) | Flavone | Sinaticin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin A |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artobiloxanthone |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartobiloxanthone |
| 0.000 | [Flavonol (3-OMe)]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Macaflavone II |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin A |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OH, 1OMe) | Flavonol | 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | Digicitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Mundulone |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | Auriculin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Scandenin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpic acid |