ピーク情報

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Peak #6422 MN MID: SE199_S41_M90

m/z: 547.29031, RT: 65.66, 強度: 9006, ログ強度: 0.36, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (12 names) Macrolactin C;Musaroside;Scuterulein A;(-)-Scuterulein A;Macrolactin O;(-)-Macrolactin O;Vernadigin;Macrolactin B;Strophanthojavoside;3-O(alpha-L-rhamnopyranosyl)-3beta,5beta,14beta,16beta-tetrahydrox...

DBごとのヒット数: ALL 10 KG 2 KN 6 HM 1 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.088

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
C30H44O10	564.29345	0.259	Macrolactin C	KNApSAcK: C00039692 LipidMAPS: LMFA07040109
C30H44O10	564.29345	0.259	Musaroside	KEGG: C08875 KNApSAcK: C00003631
C30H44O10	564.29345	0.259	Scuterulein A	KNApSAcK: C00046392
C30H44O10	564.29345	0.259	Macrolactin O	KNApSAcK: C00039693
C30H44O10	564.29345	0.259	Vernadigin	KEGG: C08884 KNApSAcK: C00003641
C30H44O10	564.29345	0.259	Macrolactin B	KNApSAcK: C00039691, C00039695, C00039696 LipidMAPS: LMFA07040105, LMFA07040107, LMFA07040108
C30H44O10	564.29345	0.259	Strophanthojavoside	KNApSAcK: C00032215
C30H44O10	564.29345	0.259	3-O(alpha-L-rhamnopyranosyl)-3beta,5beta,14beta,16beta-tetrahydroxy-bufa-20,22-dienolide	LipidMAPS: LMST01130041
C31H40O6N4	564.29479	-2.111	Daechuine S10	KNApSAcK: C00028127
C31H40O6N4	564.29479	-2.111	(S)-N-((R)-1-(Benzo[d][1,3]dioxol-5-yl)butyl)-3,3-diethyl-2-(4-(4-methylpiperazine-1-carbonyl)phenoxy)-4-oxoazetidine-1-carboxamide	HMDB: HMDB0251542

MSnスペクトル情報

Level: 2, プリカーサーm/z: 547.29041

Splash: splash10-001i-0009010000-21551413d352f7333d83

m/z	Int.	NL	Rel.Int.
383.19	7294	164	1000
517.23	1321	30	181
351.18	468	196	64
529.20	419	18	57
317.37	368	230	50

Level: 3, プリカーサーm/z: 383.17670

Splash: splash10-0uxr-0029000000-62f333d96c3c5ec0daea

m/z	Int.	NL	Rel.Int.
351.15	1119	32	1000
368.16	547	15	488
323.16	407	60	363
336.14	373	47	333
231.10	265	152	236
319.15	263	64	235
291.20	221	92	197
263.12	110	120	98
229.01	109	154	97
167.08	101	216	89
320.15	69	63	61
308.24	58	75	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.088	[Isoflavone]-A(1OH)-B(1OH, 2OMe, 1(C-Prenyl))	Isoflavone	Licoricone
0.088	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone
0.088	[Isoflavone]-A(2OH)-B(2OMe, 1(C-Prenyl))	Isoflavone	Piscerythrinetin
0.048	[Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavone	Artocarpetin B
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Pterocarpan	Desmodin
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH)-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artoindonesianin T
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin K
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)-C(1(O-Acetyl))	Dihydroflavonol	6-Prenylpinobanksin 3-O-acetate
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	Velloquercetin 4'-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavonol	Velloquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavonol	Sarothranol
0.000	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neoraucarpanol
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautanin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Hildecarpidin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Hydroxypachyrrhizone
0.000	[12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-Furano))-B(2OMe)	12a-Hydroxyrotenone	Neobanone
0.000	[Coumaranochromon]-A(2OH)-B(2OH, 1(C-Prenyl))	Coumaranochromon	Lisetin
0.000	[3-Phenylcoumarin]-A(2OMe, 1(C-Prenyl))-B(2OH)	3-Phenylcoumarin	Glycyrin

Level: 3, プリカーサーm/z: 517.19836

Splash: splash10-03di-0000900000-92e7298375676e6b2e4b

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(1OH)	2'-Hydroxychalcone	Gemichalcone A
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(none)	2'-Hydroxychalcone	Rottlerin
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-(2'''-methylbutyryl)
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(1OH)	Flavone	2'',6''-Di-O-Acetylisovitexin
[Dihydroflavonol]-A(2OH, 2(p-Hydroxybenzyl) )-B(2OH)	Dihydroflavonol	Gericudranin A