ピーク情報
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パセリ 根
pos
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| Peak #9960 MN MID: SE61_S24_M90 |
| m/z: 569.43633, RT: 99.70, 強度: 3926, ログ強度: 0.10, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (43 names) Cryptoxanthin epoxide;Aurochrome;(5R,5'R,6S,8'R)-Luteochrome;Cucumariaxanthin A;(5S,5'S,6S,6'S)-5,5',6,6'-Tetrahydro-beta,beta-carotene-4,4'-dione;5-Hydroxy-5,6-seco-3,4-didehydro-1,2,5,6-tetrahydro-b... |
| DBごとのヒット数: ALL 42 KG 6 KN 19 LM 17 |
| 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 |
|---|---|---|---|---|
| C40H56O2 | 568.42803 | 1.796 | Cryptoxanthin epoxide | HMDB: HMDB0030538 KNApSAcK: C00054691 LipidMAPS: LMPR01070711 |
| C40H56O2 | 568.42803 | 1.796 | Aurochrome | HMDB: HMDB0036877 LipidMAPS: LMPR01070708 |
| C40H56O2 | 568.42803 | 1.796 | (5R,5'R,6S,8'R)-Luteochrome | HMDB: HMDB0035316 LipidMAPS: LMPR01070714 |
| C40H56O2 | 568.42803 | 1.796 | Cucumariaxanthin A | KNApSAcK: C00023048 |
| C40H56O2 | 568.42803 | 1.796 | 5-Hydroxy-5,6-seco-3,4-didehydro-1,2,5,6-tetrahydro-beta,psi-caroten-6-one | LipidMAPS: LMPR01070883 |
| C40H56O2 | 568.42803 | 1.796 | Cryptocapsin | HMDB: HMDB0036923 KNApSAcK: C00022984 LipidMAPS: LMPR01070049 |
| C40H56O2 | 568.42803 | 1.796 | Cryptoflavin | HMDB: HMDB0036870 KNApSAcK: C00054617 LipidMAPS: LMPR01070713 |
| C40H56O2 | 568.42803 | 1.796 | Saproxanthin | KNApSAcK: C00022875 LipidMAPS: LMPR01070527 |
| C40H56O2 | 568.42803 | 1.796 | (3R,4R)-beta,psi-Carotene-3,4-diol | LipidMAPS: LMPR01070523, LMPR01070524 |
| C40H56O2 | 568.42803 | 1.796 | Isozeaxanthin | HMDB: HMDB0036922 KNApSAcK: C00022868 LipidMAPS: LMPR01070646 |
| C40H56O2 | 568.42803 | 1.796 | beta,beta-Carotene-3,4-diol | LipidMAPS: LMPR01070644 |
| C40H56O2 | 568.42803 | 1.796 | (2R,2'R)-beta,beta-Carotene-2,2'-diol | KNApSAcK: C00022861 LipidMAPS: LMPR01070640, LMPR01070641, LMPR01070642 |
| C40H56O2 | 568.42803 | 1.796 | (5R,6S,5'R)-5,6-Epoxy-5,6-dihydro-beta,kappa-carotene-6'-one | LipidMAPS: LMPR01071001 |
| C40H56O2 | 568.42803 | 1.796 | Semi-alpha-carotenone | KNApSAcK: C00023169 LipidMAPS: LMPR01070962 |
| C40H56O2 | 568.42803 | 1.796 | beta,psi-Carotene-3,3'-diol | LipidMAPS: LMPR01070526 |
| C40H56O2 | 568.42803 | 1.796 | 5,8-Epoxy-5,8-dihydro-beta,psi-caroten-3-ol | LipidMAPS: LMPR01070557 |
| C40H56O2 | 568.42803 | 1.796 | Lactucaxanthin | HMDB: HMDB0112256 KEGG: C08599 KNApSAcK: C00003775, C00022879, C00022880, C00022881, C00022882, C00022883, C00022884, C00022885, C00022886, C00022887 LipidMAPS: LMPR01070033, LMPR01070034, LMPR01070035, LMPR01070036, LMPR01070037, LMPR01070038, LMPR01070039, LMPR01070040, LMPR01070273, LMPR01070970 |
| C40H56O2 | 568.42803 | 1.796 | psi,psi-Carotene-16,16'-diol | HMDB: HMDB0036919 KNApSAcK: C00022905 LipidMAPS: LMPR01070303 |
| C40H56O2 | 568.42803 | 1.796 | beta,epsilon-Carotene-3,2'-diol | LipidMAPS: LMPR01070907 |
| C40H56O2 | 568.42803 | 1.796 | Zeaxanthin | HMDB: HMDB0002789, HMDB0003112, HMDB0003146, HMDB0003240, HMDB0035928, HMDB0040162, HMDB0242361 KEGG: C06098 KNApSAcK: C00000931, C00023218, C00023219 LipidMAPS: LMPR01070013, LMPR01070261, LMPR01070288, LMPR01070289, LMPR01070645 |
| C40H56O2 | 568.42803 | 1.796 | 1',2'-Dihydro-1'-hydroxy-beta,psi-caroten-4-one | KNApSAcK: C00022993 LipidMAPS: LMPR01070172 |
| C40H56O2 | 568.42803 | 1.796 | 1'-Hydroxy-1',2'-dihydro-beta,psi-caroten-4'-one | KEGG: C22346 |
| C40H56O2 | 568.42803 | 1.796 | (2,3-trans)-beta,psi-Carotene-2,3-diol | KNApSAcK: C00022874 LipidMAPS: LMPR01070525 |
| C40H56O2 | 568.42803 | 1.796 | 5',6'-Epoxy-5',6'-dihydro-beta,beta-caroten-3-ol | HMDB: HMDB0036971 LipidMAPS: LMPR01070712 |
| C40H56O2 | 568.42803 | 1.796 | (2R,3R)-beta,beta-Carotene-2,3-diol | KNApSAcK: C00022860 LipidMAPS: LMPR01070643 |
| C40H56O2 | 568.42803 | 1.796 | 3'-Deoxycapsanthin | KNApSAcK: C00054905 |
| C40H56O2 | 568.42803 | 1.796 | (5R,6S,5'R,6'S)-5,6:5',6'-Diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene | LipidMAPS: LMPR01070709 |
| C40H56O2 | 568.42803 | 1.796 | (3R,6'S)-2',3'-Didehydro-7',8'-dihydro-beta,epsilon-carotene-3,19'-diol | LipidMAPS: LMPR01070906 |
| C40H56O2 | 568.42803 | 1.796 | Lutein | HMDB: HMDB0002198, HMDB0002950, HMDB0003233, HMDB0003415, HMDB0003451, HMDB0112257, HMDB0242360, HMDB0303013 KEGG: C08601 KNApSAcK: C00003776, C00022871, C00022872, C00022873, C00035776, C00035777 LipidMAPS: LMPR01070029, LMPR01070030, LMPR01070031, LMPR01070043, LMPR01070274, LMPR01070905 |
| C40H56O2 | 568.42803 | 1.796 | 3,4-Didehydro-1,2-dihydro-psi,psi-carotene-1,2-diol | LipidMAPS: LMPR01070427 |
| C40H56O2 | 568.42803 | 1.796 | (3S,5R,8S)-5,8-Epoxy-5,8-dihydro-beta,beta-caroten-3-ol | HMDB: HMDB0302031 KNApSAcK: C00022949 LipidMAPS: LMPR01070710 |
| C40H56O2 | 568.42803 | 1.796 | (2R,5S,6R)-5,6-Epoxy-5,6-dihydro-beta,beta-caroten-2-ol | KNApSAcK: C00022940 LipidMAPS: LMPR01070707 |
| C40H56O2 | 568.42803 | 1.796 | Semi-beta-carotenone | HMDB: HMDB0039017 KNApSAcK: C00023168 LipidMAPS: LMPR01070877 |
| C40H56O2 | 568.42803 | 1.796 | 1,2,1',2'-Tetrahydro-psi,psi-carotene-1,1'-diol | LipidMAPS: LMPR01070417 |
| C40H56O2 | 568.42803 | 1.796 | (4'S,5'S,6'S)-4'-Hydroxy-5',6'-dihydro-beta,beta-caroten-4-one | KNApSAcK: C00022982 LipidMAPS: LMPR01070782 |
| C40H56O2 | 568.42803 | 1.796 | (3R,3'R,6'R,9Z,9'Z)-beta,epsilon-Carotene-3,3'-diol | LipidMAPS: LMPR01070904 |
| C40H56O2 | 568.42803 | 1.796 | Deoxymyxol | KEGG: C15933 KNApSAcK: C00022877 LipidMAPS: LMPR01070185, LMPR01070186 |
| C40H56O2 | 568.42803 | 1.796 | Demethylspheroidenone | KNApSAcK: C00000924 LipidMAPS: LMPR01070152 |
| C40H56O2 | 568.42803 | 1.796 | 5,6-Epoxy-5,6-dihydro-beta,psi-caroten-3-ol | LipidMAPS: LMPR01070558 |
| C40H56O2 | 568.42803 | 1.796 | (2R,5S,6R,6'R)-5,6-Epoxy-5,6-dihydro-beta,epsilon-caroten-2-ol | LipidMAPS: LMPR01070922 |
| C40H56O2 | 568.42803 | 1.796 | Rhodopinal | KEGG: C16270 KNApSAcK: C00022962 LipidMAPS: LMPR01070477 |
| C40H56O2 | 568.42803 | 1.796 | 3,3',4,4'-Tetradehydro-1,1',2,2'-tetrahydro-1,1'-dihydroxy-psi,psi-carotene | KNApSAcK: C00022890 LipidMAPS: LMPR01070179 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 569.43506 |
| Splash: splash10-0udr-0001190000-00efd1e038ff0355f522 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 537.44 | 1656 | 32 | 1000 |
| 550.69 | 1162 | 19 | 701 |
| 551.58 | 558 | 18 | 336 |
| 377.41 | 256 | 192 | 154 |
| 405.41 | 150 | 164 | 90 |
| 369.26 | 130 | 200 | 78 |
| 379.45 | 122 | 190 | 73 |
| 330.28 | 111 | 239 | 67 |
| 519.47 | 111 | 50 | 66 |
| 429.57 | 103 | 140 | 62 |
| 552.72 | 99 | 17 | 59 |
| 431.53 | 93 | 138 | 56 |
| 443.45 | 90 | 126 | 54 |
| 263.18 | 84 | 306 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1(O-p-Hydroxybenzoyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-p-hydroxybenzoate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-p-Hydroxybenzoyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 6''-O-p-hydroxybenzoate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-p-Hydroxybenzoyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-p-hydroxybenzoate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-p-Hydroxybenzoyl)-C-Glu))-B(2OH) | Flavone | 2''-O-p-Hydroxybenzoylorientin |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Hydroxymethyl-6-(4-hydroxy-2,3-dimethoxyphenyl)-dihydro[1,4]dioxinyl)))-B(1OH, 1OMe) | Flavonol | 6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one |