ピーク情報
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ミヤコグサ
pos
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| Peak #6829 MN MID: SE205_S07_M90 |
| m/z: 583.41461, RT: 85.37, 強度: 179080, ログ強度: 1.76, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 7 |
| DB検索結果: (22 names) (3S,4R,3'R)-7',8'-Didehydro-beta,beta-carotene-3,4,3'-triol;(3R,3'S,6'R)-7,8-Didehydro-beta,epsilon-carotene-3,3',6'-triol;alpha-Cryptoeutreptiellanone;(3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydr... |
| DBごとのヒット数: ALL 18 KG 3 KN 11 LM 4 |
| 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 |
|---|---|---|---|---|
| C40H54O3 | 582.40730 | 0.068 | Pectenol A | KNApSAcK: C00022909 LipidMAPS: LMPR01070069, LMPR01070070 |
| C40H54O3 | 582.40730 | 0.068 | Gobiusxanthin | KNApSAcK: C00022917 LipidMAPS: LMPR01070195 |
| C40H54O3 | 582.40730 | 0.068 | alpha-Cryptoeutreptiellanone | KNApSAcK: C00023041 LipidMAPS: LMPR01070939 |
| C40H54O3 | 582.40730 | 0.068 | 1',2'-Dihydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-4-one | LipidMAPS: LMPR01070191, LMPR01070573 |
| C40H54O3 | 582.40730 | 0.068 | (3S,6R,6'S)-3,6-Dihydroxy-2',3'-didehydro-7,8-dihydro-gamma,epsilon-caroten-8-one | LipidMAPS: LMPR01070981 |
| C40H54O3 | 582.40730 | 0.068 | LipidMAPS: LMPR01070216 |
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| C40H54O3 | 582.40730 | 0.068 | Diadinochrome | KNApSAcK: C00023239 LipidMAPS: LMPR01070715, LMPR01070716, LMPR01070717 |
| C40H54O3 | 582.40730 | 0.068 | 4-Ketolutein | KNApSAcK: C00007425, C00023006, C00023007 LipidMAPS: LMPR01070027, LMPR01070028, LMPR01070045, LMPR01070046, LMPR01070937 |
| C40H54O3 | 582.40730 | 0.068 | Diatoxanthin 3,6-epoxide | HMDB: HMDB0037794 KNApSAcK: C00023238 LipidMAPS: LMPR01070718 |
| C40H54O3 | 582.40730 | 0.068 | Deinoxanthin | KEGG: C16347 KNApSAcK: C00023009, C00053020 LipidMAPS: LMPR01070182, LMPR01070575 |
| C40H54O3 | 582.40730 | 0.068 | Flexixanthin | KNApSAcK: C00023010 LipidMAPS: LMPR01070102 |
| C40H54O3 | 582.40730 | 0.068 | (3'R,6'R)-3',4-dihydroxy-epsion,epsilon-carotene-3-one | LipidMAPS: LMPR01070978 |
| C40H54O3 | 582.40730 | 0.068 | 2,3-Dihydroxyechinenone | KNApSAcK: C00023002 LipidMAPS: LMPR01070793, LMPR01070794 |
| C40H54O3 | 582.40730 | 0.068 | 2,3-Dihydroxy-beta,psi-caroten-4-one | KNApSAcK: C00023008 LipidMAPS: LMPR01070574 |
| C40H54O3 | 582.40730 | 0.068 | Capsanthone | HMDB: HMDB0303575 KNApSAcK: C00023053 LipidMAPS: LMPR01071003 |
| C40H54O3 | 582.40730 | 0.068 | Adonixanthin | KEGG: C15968 KNApSAcK: C00000917 LipidMAPS: LMPR01070016 |
| C40H54O3 | 582.40730 | 0.068 | 7',8'-Didehydrodeepoxyneoxanthin | KNApSAcK: C00023233 LipidMAPS: LMPR01070650 |
| C40H54O3 | 582.40730 | 0.068 | Diadinoxanthin | KEGG: C19921 KNApSAcK: C00022941, C00022942 LipidMAPS: LMPR01070719, LMPR01070720 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 583.41418 |
| Splash: splash10-0006-0010910000-8109cbad0e70fbb39f57 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 491.44 | 14821 | 92 | 1000 |
| 565.43 | 2308 | 18 | 155 |
| 221.06 | 2075 | 362 | 140 |
| 425.41 | 1745 | 158 | 117 |
| 377.22 | 818 | 206 | 55 |
| 399.27 | 803 | 184 | 54 |
| 477.44 | 762 | 106 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH) | 2'-Hydroxychalcone | Calyxin B |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH) | Flavanone | Calyxin C |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(2-(4-Hydroxyphenyl)-6-(2-(4-hydroxyphenyl)ethyl)-tetrahydropyran-4-yl))-B(1OH) | Flavanone | Calyxin G |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(4-(2-Hydroxy-4-(4-hydroxyphenyl)-butyl)-6-(4-hydroxyphenyl)-4,5-dihydropyrano)))-B(1OH) | Flavanone | Calyxin M |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Vanilloyl)-C-Glu))-B(1OH) | Flavone | 2''-O-Vanilloylvitexin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-p-Methoxybenzoyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 6''-O-p-methoxybenzoate |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(3OH)-C(1(O-Galloyl)) | 4-substituted Flavan 3-ol | 4-(2,4,6-Trihydroxyphenyl)gallocatechin 3-O-galloate |
| Level: 3, プリカーサーm/z: 491.43024 |
| Splash: splash10-000b-0369000000-683ac703a862407c9b05 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 399.39 | 1679 | 92 | 1000 |
| 385.32 | 617 | 106 | 367 |
| 221.18 | 434 | 270 | 258 |
| 283.19 | 333 | 208 | 198 |
| 209.12 | 259 | 282 | 153 |
| 187.12 | 257 | 304 | 153 |
| 265.28 | 198 | 226 | 118 |
| 338.20 | 148 | 153 | 87 |
| 473.47 | 139 | 18 | 82 |
| 183.11 | 136 | 308 | 80 |
| 239.17 | 123 | 252 | 73 |
| 171.11 | 120 | 320 | 71 |
| 206.97 | 120 | 284 | 71 |
| 164.95 | 114 | 326 | 67 |
| 175.07 | 110 | 316 | 65 |
| 261.20 | 104 | 230 | 61 |
| 251.11 | 103 | 240 | 61 |
| 159.02 | 98 | 332 | 58 |
| 202.98 | 92 | 288 | 54 |
| 237.22 | 89 | 254 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.029 | [Flavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavone | Dorsilurin A |
| 0.028 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavone | Euchrenone b2 |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OMe) | Flavone | Isoorientin 7,3',4'-trimethyl ether |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(1-(2-Hydroxy-5-methoxycarbonylphenyl)-3-methylbut-2-enyl))-B(none) | Dihydrochalcone | Piperaduncin A |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(6-Ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl))-B(none) | Flavanone | 8-Prenyllepidissipyrone |
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Amorinin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl)) | Flavanone | Amoridin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Flavanone | Tanariflavanone B |
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a6 |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 6''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Orientin 2''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Orientin 6''-O-acetate |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH, 2(C-Prenyl))-B(2OH) | 3-substituted Flavone | Artelasticin |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Rubraflavone C |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Artocommunol CD |
| 0.000 | [Flavone]-A(2OH, 1Farnesyl)-B(2OH) | Flavone | Moralbanone |
| 0.000 | [UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone ([2,3:4,3]-(6,6-Dimethyldihydropyrano))]-A(2([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone | Dorsilurin E |
| 0.000 | [Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Isoflavone | Orobol 6-C-(6''-acetylglucoside) |
| 0.000 | [Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Isoflavone | Orobol 8-C-(6''-acetylglucoside) |