ピーク情報
|
シロイヌナズナ 地上部
pos
|
| Peak #8885 MN MID: SE200_S1_M90 |
| m/z: 583.41533, RT: 82.41, 強度: 135965, ログ強度: 1.51, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6 |
| 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 | 1.305 | Pectenol A | KNApSAcK: C00022909 LipidMAPS: LMPR01070069, LMPR01070070 |
| C40H54O3 | 582.40730 | 1.305 | Gobiusxanthin | KNApSAcK: C00022917 LipidMAPS: LMPR01070195 |
| C40H54O3 | 582.40730 | 1.305 | alpha-Cryptoeutreptiellanone | KNApSAcK: C00023041 LipidMAPS: LMPR01070939 |
| C40H54O3 | 582.40730 | 1.305 | 1',2'-Dihydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-4-one | LipidMAPS: LMPR01070191, LMPR01070573 |
| C40H54O3 | 582.40730 | 1.305 | (3S,6R,6'S)-3,6-Dihydroxy-2',3'-didehydro-7,8-dihydro-gamma,epsilon-caroten-8-one | LipidMAPS: LMPR01070981 |
| C40H54O3 | 582.40730 | 1.305 | LipidMAPS: LMPR01070216 |
|
| C40H54O3 | 582.40730 | 1.305 | Diadinochrome | KNApSAcK: C00023239 LipidMAPS: LMPR01070715, LMPR01070716, LMPR01070717 |
| C40H54O3 | 582.40730 | 1.305 | 4-Ketolutein | KNApSAcK: C00007425, C00023006, C00023007 LipidMAPS: LMPR01070027, LMPR01070028, LMPR01070045, LMPR01070046, LMPR01070937 |
| C40H54O3 | 582.40730 | 1.305 | Diatoxanthin 3,6-epoxide | HMDB: HMDB0037794 KNApSAcK: C00023238 LipidMAPS: LMPR01070718 |
| C40H54O3 | 582.40730 | 1.305 | Deinoxanthin | KEGG: C16347 KNApSAcK: C00023009, C00053020 LipidMAPS: LMPR01070182, LMPR01070575 |
| C40H54O3 | 582.40730 | 1.305 | Flexixanthin | KNApSAcK: C00023010 LipidMAPS: LMPR01070102 |
| C40H54O3 | 582.40730 | 1.305 | (3'R,6'R)-3',4-dihydroxy-epsion,epsilon-carotene-3-one | LipidMAPS: LMPR01070978 |
| C40H54O3 | 582.40730 | 1.305 | 2,3-Dihydroxyechinenone | KNApSAcK: C00023002 LipidMAPS: LMPR01070793, LMPR01070794 |
| C40H54O3 | 582.40730 | 1.305 | 2,3-Dihydroxy-beta,psi-caroten-4-one | KNApSAcK: C00023008 LipidMAPS: LMPR01070574 |
| C40H54O3 | 582.40730 | 1.305 | Capsanthone | HMDB: HMDB0303575 KNApSAcK: C00023053 LipidMAPS: LMPR01071003 |
| C40H54O3 | 582.40730 | 1.305 | Adonixanthin | KEGG: C15968 KNApSAcK: C00000917 LipidMAPS: LMPR01070016 |
| C40H54O3 | 582.40730 | 1.305 | 7',8'-Didehydrodeepoxyneoxanthin | KNApSAcK: C00023233 LipidMAPS: LMPR01070650 |
| C40H54O3 | 582.40730 | 1.305 | 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: 583.41479 |
| Splash: splash10-0006-0011920000-0a5d4025041f41177d15 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 491.44 | 18393 | 92 | 1000 |
| 492.43 | 8390 | 91 | 456 |
| 565.41 | 5887 | 18 | 320 |
| 221.03 | 3720 | 362 | 202 |
| 566.43 | 2002 | 17 | 108 |
| 377.21 | 1923 | 206 | 104 |
| 425.40 | 1868 | 158 | 101 |
| 477.38 | 1237 | 106 | 67 |
| 399.33 | 939 | 184 | 51 |
| 364.32 | 933 | 219 | 50 |
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: 491.43616 |
| Splash: splash10-0002-0269100000-d20e603a9e537593bbb0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 399.43 | 1961 | 92 | 1000 |
| 385.38 | 838 | 106 | 427 |
| 283.22 | 517 | 208 | 263 |
| 221.02 | 452 | 270 | 230 |
| 473.53 | 402 | 18 | 205 |
| 209.07 | 309 | 282 | 157 |
| 261.21 | 250 | 230 | 127 |
| 265.30 | 222 | 226 | 113 |
| 203.11 | 213 | 288 | 108 |
| 175.13 | 189 | 316 | 96 |
| 187.04 | 186 | 304 | 94 |
| 338.33 | 174 | 153 | 88 |
| 325.18 | 165 | 166 | 83 |
| 195.12 | 163 | 296 | 83 |
| 337.28 | 159 | 154 | 80 |
| 239.29 | 149 | 252 | 76 |
| 227.20 | 149 | 264 | 75 |
| 173.11 | 139 | 318 | 70 |
| 183.09 | 138 | 308 | 70 |
| 171.02 | 136 | 320 | 69 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.040 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OMe) | Flavone | Isoorientin 7,3',4'-trimethyl ether |
| 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 | [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) |
| Level: 3, プリカーサーm/z: 492.43134 |
| Splash: splash10-0uk9-0296700000-9323d86a7563b0a0c2bc |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 400.44 | 644 | 92 | 1000 |
| 386.40 | 304 | 106 | 472 |
| 221.20 | 196 | 271 | 303 |
| 399.41 | 162 | 93 | 251 |
| 222.15 | 122 | 270 | 189 |
| 474.47 | 116 | 18 | 180 |
| 209.33 | 93 | 283 | 144 |
| 207.39 | 91 | 285 | 142 |
| 284.29 | 90 | 208 | 140 |
| 224.17 | 89 | 268 | 138 |
| 210.12 | 87 | 282 | 134 |
| 308.37 | 86 | 184 | 134 |
| 183.09 | 81 | 309 | 126 |
| 339.45 | 81 | 153 | 125 |
| 184.03 | 73 | 308 | 113 |
| 237.12 | 68 | 255 | 105 |
| 238.17 | 68 | 254 | 105 |
| 185.11 | 66 | 307 | 102 |
| 385.42 | 60 | 107 | 93 |
| 198.13 | 58 | 294 | 89 |
FlavonoidSearch結果
ヒットなし