ピーク情報
|
イネ 葉 コシヒカリ
pos
|
| Peak #8175 MN MID: SE199_S31_M90 |
| m/z: 583.41454, RT: 83.56, 強度: 159799, ログ強度: 1.65, 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 | -0.054 | Pectenol A | KNApSAcK: C00022909 LipidMAPS: LMPR01070069, LMPR01070070 |
| C40H54O3 | 582.40730 | -0.054 | Gobiusxanthin | KNApSAcK: C00022917 LipidMAPS: LMPR01070195 |
| C40H54O3 | 582.40730 | -0.054 | alpha-Cryptoeutreptiellanone | KNApSAcK: C00023041 LipidMAPS: LMPR01070939 |
| C40H54O3 | 582.40730 | -0.054 | 1',2'-Dihydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-4-one | LipidMAPS: LMPR01070191, LMPR01070573 |
| C40H54O3 | 582.40730 | -0.054 | (3S,6R,6'S)-3,6-Dihydroxy-2',3'-didehydro-7,8-dihydro-gamma,epsilon-caroten-8-one | LipidMAPS: LMPR01070981 |
| C40H54O3 | 582.40730 | -0.054 | LipidMAPS: LMPR01070216 |
|
| C40H54O3 | 582.40730 | -0.054 | Diadinochrome | KNApSAcK: C00023239 LipidMAPS: LMPR01070715, LMPR01070716, LMPR01070717 |
| C40H54O3 | 582.40730 | -0.054 | 4-Ketolutein | KNApSAcK: C00007425, C00023006, C00023007 LipidMAPS: LMPR01070027, LMPR01070028, LMPR01070045, LMPR01070046, LMPR01070937 |
| C40H54O3 | 582.40730 | -0.054 | Diatoxanthin 3,6-epoxide | HMDB: HMDB0037794 KNApSAcK: C00023238 LipidMAPS: LMPR01070718 |
| C40H54O3 | 582.40730 | -0.054 | Deinoxanthin | KEGG: C16347 KNApSAcK: C00023009, C00053020 LipidMAPS: LMPR01070182, LMPR01070575 |
| C40H54O3 | 582.40730 | -0.054 | Flexixanthin | KNApSAcK: C00023010 LipidMAPS: LMPR01070102 |
| C40H54O3 | 582.40730 | -0.054 | (3'R,6'R)-3',4-dihydroxy-epsion,epsilon-carotene-3-one | LipidMAPS: LMPR01070978 |
| C40H54O3 | 582.40730 | -0.054 | 2,3-Dihydroxyechinenone | KNApSAcK: C00023002 LipidMAPS: LMPR01070793, LMPR01070794 |
| C40H54O3 | 582.40730 | -0.054 | 2,3-Dihydroxy-beta,psi-caroten-4-one | KNApSAcK: C00023008 LipidMAPS: LMPR01070574 |
| C40H54O3 | 582.40730 | -0.054 | Capsanthone | HMDB: HMDB0303575 KNApSAcK: C00023053 LipidMAPS: LMPR01071003 |
| C40H54O3 | 582.40730 | -0.054 | Adonixanthin | KEGG: C15968 KNApSAcK: C00000917 LipidMAPS: LMPR01070016 |
| C40H54O3 | 582.40730 | -0.054 | 7',8'-Didehydrodeepoxyneoxanthin | KNApSAcK: C00023233 LipidMAPS: LMPR01070650 |
| C40H54O3 | 582.40730 | -0.054 | 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: 583.41382 |
| Splash: splash10-0006-0010910000-f0eaed142d96ebbd858d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 491.42 | 44269 | 92 | 1000 |
| 565.56 | 7762 | 18 | 175 |
| 221.10 | 6129 | 362 | 138 |
| 425.33 | 5330 | 158 | 120 |
| 477.43 | 2585 | 106 | 58 |
| 399.37 | 2486 | 184 | 56 |
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: 491.42102 |
| Splash: splash10-000b-0259000000-9aff847629dfeec17d2e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 399.29 | 2792 | 92 | 1000 |
| 385.36 | 1077 | 106 | 385 |
| 221.09 | 548 | 270 | 196 |
| 283.28 | 536 | 208 | 192 |
| 473.41 | 374 | 18 | 133 |
| 203.22 | 362 | 288 | 129 |
| 187.19 | 331 | 304 | 118 |
| 325.16 | 282 | 166 | 100 |
| 164.88 | 272 | 327 | 97 |
| 195.00 | 263 | 296 | 94 |
| 338.38 | 252 | 153 | 90 |
| 265.23 | 243 | 226 | 86 |
| 185.05 | 238 | 306 | 85 |
| 287.26 | 236 | 204 | 84 |
| 211.17 | 226 | 280 | 80 |
| 207.16 | 207 | 284 | 74 |
| 299.03 | 202 | 192 | 72 |
| 261.42 | 196 | 230 | 70 |
| 175.19 | 164 | 316 | 58 |
| 173.20 | 163 | 318 | 58 |
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: 565.53424 |
| Splash: splash10-002b-0098860000-27adc90052762b77e0bb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 547.50 | 171 | 18 | 1000 |
| 277.46 | 81 | 288 | 474 |
| 401.64 | 65 | 164 | 378 |
| 425.22 | 59 | 140 | 346 |
| 305.40 | 45 | 260 | 266 |
| 329.04 | 45 | 236 | 265 |
| 247.20 | 43 | 318 | 254 |
| 491.19 | 40 | 74 | 236 |
| 323.14 | 40 | 242 | 236 |
| 297.23 | 39 | 268 | 227 |
| 359.53 | 36 | 206 | 213 |
| 431.26 | 35 | 134 | 205 |
| 283.38 | 35 | 282 | 203 |
| 341.04 | 33 | 224 | 191 |
| 231.27 | 31 | 334 | 181 |
| 367.23 | 29 | 198 | 172 |
| 441.40 | 28 | 124 | 165 |
| 217.04 | 27 | 348 | 156 |
| 507.31 | 26 | 58 | 154 |
| 331.24 | 25 | 234 | 148 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH) | Flavone | Vicenin 1 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Schaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH) | Flavone | Isocorymboside |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH) | Flavone | Neocorymboside |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH) | Flavone | 6-C-Xylopyranosyl-8-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH) | Flavone | 6-C-Galactopyranosyl-8-C-xylopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH) | Flavone | Vicenin 3 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Isoschaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Neoschaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Neoisoschaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Apiofuranosyl))-B(1OH) | Flavone | 6-C-beta-D-Glucopyranosyl-8-C-beta-D-apiofuranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH) | Flavone | Corymboside |