ピーク情報

はつか大根　葉

pos

Peak #10773 MN MID: SE202_S21_M90

m/z: 731.43578, RT: 100.28, 強度: 40978, ログ強度: 1.16, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 8

DB検索結果: (2 names) Spergulin B;(-)-Spergulin B

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.103

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
C39H64O11	708.44486	2.388	Spergulin B	KNApSAcK: C00037838

MSnスペクトル情報

Level: 2, プリカーサーm/z: 731.43555

Splash: splash10-014i-0000390000-44d37886007b772d6e74

m/z	Int.	NL	Rel.Int.
519.40	8631	212	1000
453.31	3260	278	377
520.43	3225	211	373
454.41	840	277	97
714.51	798	17	92

Level: 3, プリカーサーm/z: 453.31372

Splash: splash10-0006-0091000000-8047e9f0fd55bf57f587

m/z	Int.	NL	Rel.Int.
291.21	86	162	1000
235.16	43	218	503
243.17	43	210	495
363.26	22	90	255
241.10	22	212	252
425.36	19	28	224
203.11	18	250	207
185.05	15	268	175
259.10	7	194	80
397.42	7	56	79
351.39	5	102	61
333.28	5	120	56
379.38	5	74	56

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.103	[Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Dorsmanin D
0.077	[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Amoradinin
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH)	2'-Hydroxychalcone	Derrichalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	2'-Hydroxychalcone	Kushenol D
0.000	[Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none)	Dihydrochalcone	Chamuvaritin
0.000	[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH)	Dihydrochalcone	Aspalathin
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH)	Dihydrochalcone alpha-ol	Coatline B
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH)	Flavanone	Derriflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	2'-Methoxykurarinone
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none)	Flavone	9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavone	Epimedokoreanin A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	3-substituted Flavone	Heteroartonin A
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artonin S
0.000	[Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavonol	Broussoflavonol B
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	6-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	8-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavan 3-ol	Catechin 8-C-beta-D-galactoside
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ib
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ic
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl))	Flavan 3-ol	Gallocatechin 3-O-p-coumarate

Level: 3, プリカーサーm/z: 519.41852

Splash: splash10-0006-0390000000-47871cbfb43f48a60842

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS3	共有数
	100.30	747.40964	15.9739	1.56	[M+K]+	(2 names) Spergulin B; (-)-Spergulin B	ALL 1 KN 1			9
10773	100.28	731.43578	0.0000	1.16	[M+Na]+	(2 names) Spergulin B; (-)-Spergulin B	ALL 1 KN 1	MS2 MS3 x 2	0.103	8
	100.33	726.48028	-4.9555	2.30	[M+NH4]+	(2 names) Spergulin B; (-)-Spergulin B	ALL 1 KN 1	MS2 MS3 x 2		13

m/z	Int.	NL	Rel.Int.
241.12	58	278	1000
185.11	26	334	452
243.19	16	276	279
357.61	7	162	121
463.30	4	56	73
259.17	3	260	59

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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