ピーク情報
|
パセリ 葉
pos
|
| Peak #3699 MN MID: SE61_S21_M90 |
| m/z: 291.10742, RT: 32.85, 強度: 6793, ログ強度: 0.25, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| DB検索結果: (4 names) 2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran;Osmundalin;Furaneol 4-glucoside;Creatinine hippurate |
| DBごとのヒット数: ALL 4 KN 3 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.045, MS3: 0.037 |
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 |
|---|---|---|---|---|
| C12H18O8 | 290.10017 | -0.076 | 2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran | KNApSAcK: C00029438 |
| C12H18O8 | 290.10017 | -0.076 | Osmundalin | HMDB: HMDB0031304 KNApSAcK: C00048034 |
| C12H18O8 | 290.10017 | -0.076 | Furaneol beta-D-glucopyranoside | HMDB: HMDB0032992 KNApSAcK: C00036464 |
| C13H14O4N4 | 290.10150 | -4.686 | Creatinine hippurate | HMDB: HMDB0250530 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 291.10727 |
| Splash: splash10-00gi-0490000000-cf96443238be3935d08a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.07 | 763 | 18 | 1000 |
| 231.12 | 447 | 60 | 585 |
| 127.05 | 351 | 164 | 460 |
| 272.12 | 237 | 19 | 310 |
| 168.15 | 190 | 123 | 248 |
| 125.96 | 154 | 165 | 201 |
| 230.37 | 140 | 61 | 183 |
| 169.15 | 133 | 122 | 174 |
| 188.89 | 87 | 102 | 114 |
| 84.03 | 84 | 207 | 109 |
| 217.02 | 70 | 74 | 92 |
| 229.15 | 67 | 62 | 88 |
| 205.12 | 64 | 86 | 84 |
| 204.21 | 59 | 87 | 77 |
| 256.30 | 55 | 35 | 72 |
| 245.16 | 55 | 46 | 72 |
| 108.96 | 50 | 182 | 64 |
| 285.26 | 45 | 6 | 59 |
| 247.24 | 40 | 44 | 51 |
| 129.07 | 38 | 162 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.045 | [Dihydrochalcone]-A(3OH)-B(2OH) | Dihydrochalcone | 3,4,2',4',6'-Pentahydroxydihydrochalcone |
| 0.042 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Mesquitol |
| 0.042 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| 0.042 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 3,5,7,3',5'-Pentahydroxyflavan |
| 0.042 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Catechin |
| 0.042 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | Robinetinidol |
| 0.000 | [Dihydrochalcone alpha-ol]-A(3OH)-B(1OH) | Dihydrochalcone alpha-ol | Nubigenol |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,2',4',alpha-Pentahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(2OH) | Flavan 4-ol | Luteoforol |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,3',4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,8,4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,5,7,4'-Pentahydroxyflavan |
| Level: 3, プリカーサーm/z: 273.07385 |
| Splash: splash10-0fba-0490000000-736fac756f75fc2eb93a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.18 | 45 | 44 | 1000 |
| 245.19 | 34 | 28 | 758 |
| 151.03 | 19 | 122 | 420 |
| 127.08 | 17 | 146 | 382 |
| 255.05 | 17 | 18 | 370 |
| 252.56 | 14 | 21 | 313 |
| 187.13 | 12 | 86 | 278 |
| 199.17 | 12 | 74 | 264 |
| 231.11 | 10 | 42 | 231 |
| 169.05 | 10 | 104 | 225 |
| 230.34 | 9 | 43 | 211 |
| 228.55 | 9 | 45 | 210 |
| 227.33 | 9 | 46 | 198 |
| 226.37 | 7 | 47 | 163 |
| 91.16 | 6 | 182 | 138 |
| 215.97 | 5 | 57 | 101 |
| 175.23 | 4 | 98 | 93 |
| 167.93 | 4 | 105 | 88 |
| 242.39 | 4 | 31 | 84 |
| 108.91 | 4 | 164 | 81 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.143 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.143 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.143 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.138 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.138 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.111 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.111 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.074 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.074 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.071 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.071 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.071 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.071 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.043 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.043 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.042 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.042 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.042 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.042 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.040 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |