ピーク情報
|
ミヤコグサ
pos
|
| Peak #7333 MN MID: SE205_S07_M90 |
| m/z: 601.42575, RT: 104.01, 強度: 10380, ログ強度: 0.52, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 9 |
| DB検索結果: (35 names) 4-Hydroxymyxol;Capsanthin 3,6-epoxide;(3S,3'S,4R,4'R)-Crustaxanthin;(3S,4R,3'S,5'R)-3,4,3'-Trihydroxy-beta,kappa-caroten-6'-one;(3S,5R,6R,3'S,5'R)-3,5,3'-Trihydroxy-6,7-didehydro-5,6-dihydro-beta,kapp... |
| DBごとのヒット数: ALL 32 KG 6 KN 18 HM 1 LM 7 |
| 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 |
|---|---|---|---|---|
| C40H56O4 | 600.41786 | 1.015 | LipidMAPS: LMPR01070200 |
|
| C40H56O4 | 600.41786 | 1.015 | 4-Hydroxymyxol | KEGG: C15932 LipidMAPS: LMPR01070190, LMPR01070531, LMPR01070532 |
| C40H56O4 | 600.41786 | 1.015 | Capsanthin 3,6-epoxide | HMDB: HMDB0033260 KNApSAcK: C00023042 LipidMAPS: LMPR01070050 |
| C40H56O4 | 600.41786 | 1.015 | (3S,3'S,4R,4'R)-Crustaxanthin | KNApSAcK: C00022924, C00023234 LipidMAPS: LMPR01070664, LMPR01070665, LMPR01070666, LMPR01070667 |
| C40H56O4 | 600.41786 | 1.015 | Lilixanthin | KNApSAcK: C00023024 LipidMAPS: LMPR01071012 |
| C40H56O4 | 600.41786 | 1.015 | Capsoneoxanthin | KNApSAcK: C00023025 LipidMAPS: LMPR01071010 |
| C40H56O4 | 600.41786 | 1.015 | (2S,2'S)-Oscillol | KEGG: C16274 LipidMAPS: LMPR01070187, LMPR01070444 |
| C40H56O4 | 600.41786 | 1.015 | Siphonaxanthin | HMDB: HMDB0258309 LipidMAPS: LMPR01070158 |
| C40H56O4 | 600.41786 | 1.015 | 9Z,9'Z-(3R,5S,6S,3'R,5'S,6'S)-3,3'-dihydroxy-5,6,5',6'-tetrahydro-beta,beta-carotene-4,4'-dione | LipidMAPS: LMPR01070803 |
| C40H56O4 | 600.41786 | 1.015 | Preprasinoxanthin | KNApSAcK: C00023034 LipidMAPS: LMPR01070201 |
| C40H56O4 | 600.41786 | 1.015 | Cucurbitaxanthin B | HMDB: HMDB0035320 KNApSAcK: C00022954 LipidMAPS: LMPR01070065 |
| C40H56O4 | 600.41786 | 1.015 | Salmoxanthin | HMDB: HMDB0036912 KNApSAcK: C00046367 LipidMAPS: LMPR01070193 |
| C40H56O4 | 600.41786 | 1.015 | Cucurbitachrome 2 | HMDB: HMDB0041581 KNApSAcK: C00022956, C00054371 LipidMAPS: LMPR01070736 |
| C40H56O4 | 600.41786 | 1.015 | 6-Epiheteroxanthin | HMDB: HMDB0036873 KNApSAcK: C00022925, C00022926.obs, C00023237 LipidMAPS: LMPR01070668, LMPR01070670 |
| C40H56O4 | 600.41786 | 1.015 | Corbiculaxanthin | KNApSAcK: C00023235 LipidMAPS: LMPR01070663 |
| C40H56O4 | 600.41786 | 1.015 | 5,5'-Dihydroxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-dione | LipidMAPS: LMPR01070824 |
| C40H56O4 | 600.41786 | 1.015 | Auroxanthin | HMDB: HMDB0036876 LipidMAPS: LMPR01070732, LMPR01070733, LMPR01070734, LMPR01070735 |
| C40H56O4 | 600.41786 | 1.015 | Neoxanthin | HMDB: HMDB0003020, HMDB0302969 KEGG: C08606, C13431 KNApSAcK: C00003780 LipidMAPS: LMPR01070290, LMPR01070291 |
| C40H56O4 | 600.41786 | 1.015 | Capsorubin | HMDB: HMDB0036924 KEGG: C08585 KNApSAcK: C00003764 LipidMAPS: LMPR01070048 |
| C40H56O4 | 600.41786 | 1.015 | Capsanthin 5,6-epoxide | HMDB: HMDB0036588 KNApSAcK: C00023035 LipidMAPS: LMPR01071008, LMPR01071009 |
| C40H56O4 | 600.41786 | 1.015 | Formosaninol | KNApSAcK: C00031792, C00032254 |
| C40H56O4 | 600.41786 | 1.015 | Violaxanthin | HMDB: HMDB0003101, HMDB0260078, HMDB0302970, HMDB0303784, HMDB0304252 KEGG: C08614, C13433 KNApSAcK: C00003787, C00045500 LipidMAPS: LMPR01070282, LMPR01070284 |
| C40H56O4 | 600.41786 | 1.015 | Nostoxanthin | KEGG: C16284 KNApSAcK: C00022921 LipidMAPS: LMPR01070104 |
| C40H56O4 | 600.41786 | 1.015 | 5,8-Epoxy-5,8-dihydro-beta,epsilon-carotene-3,3',6'-triol | LipidMAPS: LMPR01070926 |
| C40H56O4 | 600.41786 | 1.015 | Capsochrome | HMDB: HMDB0036913 |
| C40H56O4 | 600.41786 | 1.015 | Cycloviolaxanthin | HMDB: HMDB0038106 KNApSAcK: C00022955 LipidMAPS: LMPR01070063 |
| C40H56O4 | 600.41786 | 1.015 | (8'R)-Neochrome | HMDB: HMDB0302169 KNApSAcK: C00023254 LipidMAPS: LMPR01070727 |
| C40H56O4 | 600.41786 | 1.015 | Luteoxanthin | HMDB: HMDB0303064 LipidMAPS: LMPR01070301, LMPR01070730, LMPR01070731 |
| C40H56O4 | 600.41786 | 1.015 | Mimulaxanthin | KNApSAcK: C00022929 LipidMAPS: LMPR01070669 |
| C40H56O4 | 600.41786 | 1.015 | Siphonaxanthin | KNApSAcK: C00023022 |
| C40H56O4 | 600.41786 | 1.015 | beta-Carotenone | HMDB: HMDB0039023 KNApSAcK: C00023173 LipidMAPS: LMPR01070880 |
| C40H56O4 | 600.41786 | 1.015 | Capsochrome | KNApSAcK: C00054690 LipidMAPS: LMPR01071011 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 601.42566 |
| Splash: splash10-001i-0023090000-16559d60b6f650938e02 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 583.42 | 1287 | 18 | 1000 |
| 582.43 | 694 | 19 | 539 |
| 508.38 | 394 | 93 | 305 |
| 221.24 | 311 | 380 | 241 |
| 509.50 | 208 | 92 | 161 |
| 237.12 | 174 | 364 | 134 |
| 393.33 | 172 | 208 | 133 |
| 287.25 | 171 | 314 | 132 |
| 565.43 | 169 | 36 | 131 |
| 521.43 | 169 | 80 | 131 |
| 520.33 | 155 | 81 | 120 |
| 352.17 | 146 | 249 | 113 |
| 365.20 | 144 | 236 | 111 |
| 209.05 | 129 | 392 | 100 |
| 313.22 | 122 | 288 | 94 |
| 375.24 | 110 | 226 | 85 |
| 301.13 | 110 | 300 | 85 |
| 300.24 | 105 | 301 | 81 |
| 392.26 | 102 | 209 | 79 |
| 353.24 | 95 | 248 | 74 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1(O-Galloyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-gallate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Galloyl)-C-Glu))-B(2OH) | Flavone | Orientin 2''-O-gallate |