ピーク情報

パセリ　根

pos

Peak #10440 MN MID: SE61_S24_M90

m/z: 445.27156, RT: 103.21, 強度: 11711, ログ強度: 0.57, 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: 0.050

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	0.574	Remangilone B	KNApSAcK: C00049288
C28H38O3	422.28210	0.574	(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	0.574	3-oxo-witha-1,4,24-trienolide	LipidMAPS: LMST01160002
C28H38O3	422.28210	0.574	14alpha-hydroxyergosta-4,7,9,22-tetraen-3,6-dione	LipidMAPS: LMST01031159
C28H38O3	422.28210	0.574	20-epi-Isoiguesterinol	KNApSAcK: C00042072
C28H38O3	422.28210	0.574	(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: 445.27148

Splash: splash10-03di-0000900000-48401027046ec2596676

m/z	Int.	NL	Rel.Int.
413.31	13411	32	1000
415.40	3396	30	253
429.12	1663	16	124
411.39	1028	34	76

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: 413.33658

Splash: splash10-001l-0019000000-d1e8624a8f71b104ec22

m/z	Int.	NL	Rel.Int.
383.21	115	30	1000
343.30	85	70	734
385.25	63	28	552
395.16	48	18	413
411.35	45	2	394
319.42	40	94	350
304.87	39	108	338
283.25	35	130	301
320.48	22	93	194
253.20	19	160	168
321.36	18	92	160
371.08	18	42	156
384.39	16	29	139
355.28	15	58	127
397.01	14	16	120
268.83	14	145	120
318.41	12	95	100
377.45	10	36	90
281.26	10	132	85
138.93	8	274	67

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

Level: 3, プリカーサーm/z: 415.40735

Splash: splash10-000i-0092000000-bffa4bc01da3a493c51e

m/z	Int.	NL	Rel.Int.
289.01	77	126	1000
383.18	14	32	179
233.19	12	182	154
317.42	10	98	125
415.41	8	-0	101
305.50	6	110	80
291.33	5	124	63

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.050	[Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe)	Flavanone	Heteroflavanone C
0.038	[Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe)	Flavanone	Laxiflorin
0.000	[Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH)	Flavanone	Kanzonol S
0.000	[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH)	Flavone	3'-Deoxyderhamnosylmaysin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH)	Flavone	Pinnatifinoside A
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Aciculatin
0.000	[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH)	Flavone	6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin
0.000	[4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Prodelphinidin B6
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe)	12a-Hydroxyrotenone	Volubinol

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MSnスペクトル情報

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