ピーク情報
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パセリ 葉
pos
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| Peak #10729 MN MID: SE61_S21_M90 |
| m/z: 599.40967, RT: 99.24, 強度: 1030040, ログ強度: 2.54, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| DB検索結果: (21 names) (3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one;(3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one;;(3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7'... |
| DBごとのヒット数: ALL 18 KN 4 HM 2 LM 12 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
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 |
|---|---|---|---|---|
| C40H56O5 | 616.41277 | 0.291 | (3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one | HMDB: HMDB0037795 |
| C40H56O5 | 616.41277 | 0.291 | (3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one | LipidMAPS: LMPR01071017 |
| C40H56O5 | 616.41277 | 0.291 | LipidMAPS: LMPR01070204 |
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| C40H56O5 | 616.41277 | 0.291 | (3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7',8'-didehydro-gamma,epsilon-carotene-8-one | LipidMAPS: LMPR01070983 |
| C40H56O5 | 616.41277 | 0.291 | Crassostrea Secocarotenoid | HMDB: HMDB0037789 LipidMAPS: LMPR01070591 |
| C40H56O5 | 616.41277 | 0.291 | (3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one | HMDB: HMDB0037796 LipidMAPS: LMPR01071018 |
| C40H56O5 | 616.41277 | 0.291 | Fucoxanthinol | HMDB: HMDB0252510 KNApSAcK: C00023240 LipidMAPS: LMPR01070055 |
| C40H56O5 | 616.41277 | 0.291 | Sugikurojin J | KNApSAcK: C00032259 |
| C40H56O5 | 616.41277 | 0.291 | Vaucheriaxanthin | KNApSAcK: C00022947 LipidMAPS: LMPR01070740 |
| C40H56O5 | 616.41277 | 0.291 | 3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one | KNApSAcK: C00031556 |
| C33H61O8P | 616.41041 | 4.132 | 1-(9Z,12Z-heptadecadienoyl)-2-tridecanoyl-glycero-3-phosphate | LipidMAPS: LMGP10010277 |
| C33H61O8P | 616.41041 | 4.132 | 1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphate | LipidMAPS: LMGP10010113 |
| C33H61O8P | 616.41041 | 4.132 | 1,2-di-(9Z-pentadecenoyl)-sn-glycero-3-phosphate | LipidMAPS: LMGP10010164 |
| C33H61O8P | 616.41041 | 4.132 | 1-(9Z,12Z-octadecadienoyl)-2-dodecanoyl-glycero-3-phosphate | LipidMAPS: LMGP10010338 |
| C33H61O8P | 616.41041 | 4.132 | PA(16:1(9Z)/14:1(9Z)) | HMDB: HMDB0114853 LipidMAPS: LMGP10010202 |
| C33H61O8P | 616.41041 | 4.132 | 1-tridecanoyl-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphate | LipidMAPS: LMGP10010073 |
| C33H61O8P | 616.41041 | 4.132 | PA(i-12:0/18:2(9Z,11Z)) | HMDB: HMDB0115775 |
| C33H61O8P | 616.41041 | 4.132 | 1-dodecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate | LipidMAPS: LMGP10010051 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 599.40906 |
| Splash: splash10-001i-0013390000-446849fe870c862d2d97 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 581.49 | 12050 | 18 | 1000 |
| 431.31 | 5483 | 168 | 455 |
| 582.45 | 4188 | 17 | 347 |
| 377.29 | 3906 | 222 | 324 |
| 365.38 | 3068 | 234 | 254 |
| 563.46 | 2781 | 36 | 230 |
| 583.37 | 2305 | 16 | 191 |
| 209.12 | 2273 | 390 | 188 |
| 233.21 | 2251 | 366 | 186 |
| 417.39 | 1909 | 182 | 158 |
| 541.63 | 1893 | 58 | 157 |
| 459.19 | 1647 | 140 | 136 |
| 557.50 | 1585 | 42 | 131 |
| 432.44 | 1560 | 167 | 129 |
| 499.48 | 1553 | 100 | 128 |
| 383.29 | 1465 | 216 | 121 |
| 221.14 | 1434 | 378 | 119 |
| 523.56 | 1373 | 76 | 113 |
| 507.39 | 1329 | 92 | 110 |
| 378.33 | 1282 | 221 | 106 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroperoxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH) | 2'-Hydroxychalcone | Calyxin A |
| 0.000 | [Dihydrochalcone]-A(3OH, 2(C-Glu))-B(1OH) | Dihydrochalcone | Phloretin 3',5'-Di-C-glucoside |
| Level: 3, プリカーサーm/z: 581.49377 |
| Splash: splash10-03k9-0022490000-ecc7e51ff02300bd8879 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 523.58 | 710 | 58 | 1000 |
| 563.51 | 683 | 18 | 961 |
| 539.47 | 195 | 42 | 274 |
| 413.54 | 189 | 168 | 265 |
| 505.28 | 155 | 76 | 217 |
| 315.36 | 141 | 266 | 199 |
| 481.22 | 141 | 100 | 198 |
| 355.19 | 131 | 226 | 184 |
| 497.52 | 117 | 84 | 165 |
| 221.31 | 111 | 360 | 156 |
| 461.31 | 108 | 120 | 152 |
| 455.36 | 107 | 126 | 150 |
| 250.99 | 104 | 331 | 146 |
| 263.16 | 104 | 318 | 145 |
| 287.39 | 103 | 294 | 145 |
| 312.99 | 103 | 269 | 144 |
| 377.43 | 100 | 204 | 140 |
| 407.52 | 98 | 174 | 138 |
| 417.26 | 96 | 164 | 135 |
| 348.33 | 94 | 233 | 133 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH) | Flavone | Lucenin 1 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH) | Flavone | Lucenin 3 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH) | Flavone | Carlinoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH) | Flavone | Isocarlinoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH) | Flavone | Neocarlinoside |
| Level: 3, プリカーサーm/z: 431.31067 |
| Splash: splash10-07rr-0259100000-5e5682765e22028c2e97 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 355.41 | 370 | 76 | 1000 |
| 265.37 | 296 | 166 | 801 |
| 375.25 | 235 | 56 | 636 |
| 413.44 | 206 | 18 | 556 |
| 373.32 | 190 | 58 | 513 |
| 233.40 | 173 | 198 | 468 |
| 331.26 | 166 | 100 | 448 |
| 197.13 | 155 | 234 | 419 |
| 374.21 | 120 | 57 | 323 |
| 274.99 | 98 | 156 | 264 |
| 166.83 | 97 | 264 | 263 |
| 389.62 | 96 | 42 | 260 |
| 263.09 | 96 | 168 | 260 |
| 211.23 | 95 | 220 | 255 |
| 388.42 | 84 | 43 | 227 |
| 225.12 | 83 | 206 | 225 |
| 276.15 | 83 | 155 | 223 |
| 371.50 | 82 | 60 | 223 |
| 357.26 | 82 | 74 | 221 |
| 176.16 | 79 | 255 | 212 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.040 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.040 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe) | Isoflavone | Puerarin 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | Isomollupentin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | 7,4'-Di-O-Methylisomollupentin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH) | Flavone | 8-C-Rhamnosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH) | Flavone | Derhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin |
| 0.000 | [Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe) | Flavone | Alternanthin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin 4'-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) |