ピーク情報

パセリ　根

pos

Peak #10613 MN MID: SE61_S24_M90

m/z: 445.27152, RT: 104.23, 強度: 177341, ログ強度: 1.75, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (7 names) Remangilone B;(+)-Remangilone B;(5Z,7E)-(1S,3R)-22-(3-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol;3-oxo-witha-1,4,24-trienolide;14alpha-hydroxyergosta-4,7,9,22-tetraen-3,6-dio...

DBごとのヒット数: ALL 6 KN 2 LM 4

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C28H38O3	422.28210	0.487	Remangilone B	KNApSAcK: C00049288
C28H38O3	422.28210	0.487	(5Z,7E)-(1S,3R)-22-(3-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol	LipidMAPS: LMST03020310
C28H38O3	422.28210	0.487	3-oxo-witha-1,4,24-trienolide	LipidMAPS: LMST01160002
C28H38O3	422.28210	0.487	14alpha-hydroxyergosta-4,7,9,22-tetraen-3,6-dione	LipidMAPS: LMST01031159
C28H38O3	422.28210	0.487	20-epi-Isoiguesterinol	KNApSAcK: C00042072
C28H38O3	422.28210	0.487	(5Z,7E)-(1S,3R)-22-(4-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol	LipidMAPS: LMST03020311

MSnスペクトル情報

Level: 2, プリカーサーm/z: 445.27112

Splash: splash10-03di-0000900000-b43283dc86359c0edf05

m/z	Int.	NL	Rel.Int.
413.35	56452	32	1000
414.40	16005	31	283
415.40	14461	30	256
416.43	5465	29	96

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Flavone	7-Hydroxy-5,4'-dimethoxyflavone 8-C-rhamnoside
[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH, 1OMe)	Flavone	3'-O-Methylderhamnosylmaysin
[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH, 1OMe)	Flavone	6-C-(6-Deoxy-ribo-hexos-3-ulosyl)diosmetin
[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone	Artomunoxanthentrione
[Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Isoflavone	Isovolubilin
[Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Isoflavone	Volubilin

Level: 3, プリカーサーm/z: 413.30148

Splash: splash10-03dj-0009100000-9666c5ccd8cb87c58f11

m/z	Int.	NL	Rel.Int.
397.44	105	16	1000
311.20	84	102	798
411.52	80	2	763
385.34	78	28	737
373.03	67	40	637
383.25	58	30	551
398.23	39	15	371
327.27	39	86	365
316.41	33	97	312

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(C-Prenyl))	Flavonol	Viscosol
[4-substituted Flavan 3-ol (4-(2,3,4-Trihydroxyphenyl))]-A(1OH)-B(2OH)	4-substituted Flavan 3-ol	4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol
[Rotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(2OMe)	Rotenone	Dihydroamorphigenin
[Rotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe)	Rotenone	Dalpanol
[12a-Hydroxyrotenone]-A(1OH, 1(C-Prenyl))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyrot-2'-enonic acid

関連ピーク情報

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	FS2	FS3	共有数
	104.22	461.24538	15.9739	1.51	[M+K]+	(7 names) Remangilone B; (+)-Remangilone B; (5Z,7E)-(1S,3R)-22-(3-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol; 3-oxo-witha-1,4,24-trienolide; 14alpha-hydroxyergosta-4,7,9,22-tetraen-3,6-dio...	ALL 6 KN 2 LM 4	MS2 MS3	0.012	0.143	1
10613	104.23	445.27152	0.0000	1.75	[M+Na]+	(7 names) Remangilone B; (+)-Remangilone B; (5Z,7E)-(1S,3R)-22-(3-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol; 3-oxo-witha-1,4,24-trienolide; 14alpha-hydroxyergosta-4,7,9,22-tetraen-3,6-dio...	ALL 6 KN 2 LM 4	MS2 MS3			1
	104.22	423.28958	-21.9819	2.12	[M+H]+, [M+IsoProp+H]+, [M+CH3OH-H2O+H]+	(7 names) Remangilone B; (+)-Remangilone B; (5Z,7E)-(1S,3R)-22-(3-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol; 3-oxo-witha-1,4,24-trienolide; 14alpha-hydroxyergosta-4,7,9,22-tetraen-3,6-dio...	ALL 6 KN 2 LM 4	MS2 MS3 x 2	0.105	0.350	1

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MSnスペクトル情報

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