ピーク情報

イチョウ　葉

pos

Peak #8858 MN MID: SE205_S01_M90

m/z: 619.34819, RT: 76.35, 強度: 44256, ログ強度: 1.10, アダクト: [M-H2O+K]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (3 names) Buxmicrophylline H;(+)-Buxmicrophylline H;3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone

DBごとのヒット数: ALL 2 KN 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.071

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
C35H54O6N2	598.39819	-4.332	Buxmicrophylline H	KNApSAcK: C00047201
C35H54O6N2	598.39819	-4.332	3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone	HMDB: HMDB0038567 KNApSAcK: C00055097

MSnスペクトル情報

Level: 2, プリカーサーm/z: 619.34839

Splash: splash10-0kcb-0049723000-21f32e0a9b388819b974

m/z	Int.	NL	Rel.Int.
395.24	1895	224	1000
475.32	1808	144	954
601.44	1788	18	944
339.26	1082	280	571
267.17	781	352	412
281.27	761	338	401
321.32	687	298	362
457.42	647	162	341
207.14	570	412	301
583.48	475	36	250
545.45	409	74	216
491.44	361	128	190
431.39	348	188	183
482.36	339	137	178
591.42	311	28	163
389.33	270	230	142
383.39	250	236	131
401.31	222	218	117
269.31	214	350	113
365.36	211	254	111

Level: 3, プリカーサーm/z: 395.23822

Splash: splash10-000i-0309000000-0dbd3f507a58e71665c0

m/z	Int.	NL	Rel.Int.
339.17	478	56	1000
137.09	45	258	95
197.20	33	198	69
269.07	33	126	68
182.98	32	212	66
147.01	28	248	58
158.92	27	236	56
164.99	26	230	55
321.33	24	74	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Isoflavone	Barbigerone
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Benzoyl))	Flavan 3-ol	Catechin 3-O-benzoate
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 2(C-Prenyl))	Dihydrochalcone	Gancaonin J
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1Geranyl)	Dihydrochalcone	3-Geranyl-4,2',4'-trihydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone
0.000	[Dihydrochalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Linderatin
0.000	[Flavanone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavanone	Purpurin
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-Furano))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-prenyl-[2'',3'':5,6]furanoflavanone
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(2OH)	Flavone	Demethyltorosaflavone C
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Muxiangrin I
0.000	[Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH)	Dihydroflavonol	Gericudranin E
0.000	[Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	8-C-Methylvellokaempferol 3,5-dimethyl ether
0.000	[Flavan]-A(1OH)-B(2OH, 2(C-Prenyl))	Flavan	Kazinol A
0.000	[Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Rotenone	Rotenone
0.000	[Rotenone]-A(1OH, 1(Penta-1,4-dienyl))-B(2OMe)	Rotenone	Myriconol
0.000	[Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Rotenone	Deguelin
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Hydroxyisomillettone
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	Millettosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropyldihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydrodihydrorotenone
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Robustic acid methyl ether
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Robustin
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Isorobustin

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
	76.38	637.35894	18.0107	2.20	[M+K]+	(3 names) Buxmicrophylline H; (+)-Buxmicrophylline H; 3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone	ALL 2 KN 2	MS2 MS3 x 2		0.023	6
8858	76.35	619.34819	0.0000	1.10	[M-H2O+K]+	(3 names) Buxmicrophylline H; (+)-Buxmicrophylline H; 3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone	ALL 2 KN 2	MS2 MS3		0.071	2

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MSnスペクトル情報

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