ピーク情報

パセリ　根

pos

Peak #7952 MN MID: SE61_S24_M90

m/z: 489.20932, RT: 75.27, 強度: 12270, ログ強度: 0.59, 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: (14 names) Ajugamarin C1;Excavatolide E;(+)-Excavatolide E;8-Pentanoylneosolaniol;Pachyclavulariolide M;(-)-Pachyclavulariolide M;Milolide B;(+)-Milolide B;Neocaesalpin C;(-)-Neocaesalpin C;Milolide F;(+)-Miloli...

DBごとのヒット数: ALL 9 KG 1 KN 7 HM 1

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
C24H34O9	466.22028	-0.389	Ajugamarin C1	KNApSAcK: C00031587
C24H34O9	466.22028	-0.389	8-Pentanoylneosolaniol	HMDB: HMDB0038558
C24H34O9	466.22028	-0.389	Excavatolide E	KNApSAcK: C00049871
C24H34O9	466.22028	-0.389	Pachyclavulariolide M	KNApSAcK: C00044989
C24H34O9	466.22028	-0.389	Neocaesalpin C	KNApSAcK: C00033244
C24H34O9	466.22028	-0.389	Milolide B	KNApSAcK: C00046152
C24H34O9	466.22028	-0.389	Milolide F	KNApSAcK: C00046156
C24H34O9	466.22028	-0.389	T-2 toxin	HMDB: HMDB0036600 KEGG: C09738 KNApSAcK: C00003192, C00012656
C24H34O9	466.22028	-0.389	Cardivin C	KNApSAcK: C00050338

MSnスペクトル情報

Level: 2, プリカーサーm/z: 489.20944

Splash: splash10-00fr-0001900000-8480169ac5747797d8f7

m/z	Int.	NL	Rel.Int.
471.29	4517	18	1000
429.27	2656	60	588
399.16	468	90	103
369.27	398	120	88
335.15	227	154	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(1OH, 1Methyl, 1([2,3:@@]-(4-Isopropyl-6,6,8,8-tetramethyl-5,7-dioxy-4,8-dihydrochromeno)))-B(none)	Flavanone	Lumaflavanone A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Amorin
[Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Flemichin A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a11
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a12
[Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(1OH)	Flavone	Isoswertisin 2''-O-acetate
[3-substituted Flavone (3-Geranyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Rubraflavone D
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	3-substituted Flavone	Sanggenone K
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 2(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Artelastin
[Flavonol]-A(2OH, 2(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Dorsilurin C

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
7952	75.27	489.20932	0.0000	0.59	[M+Na]+	(14 names) Ajugamarin C1; Excavatolide E; (+)-Excavatolide E; 8-Pentanoylneosolaniol; Pachyclavulariolide M; (-)-Pachyclavulariolide M; Milolide B; (+)-Milolide B; Neocaesalpin C; (-)-Neocaesalpin C; Milolide F; (+)-Miloli...	ALL 9 KG 1 KN 7 HM 1	MS2			1
	75.27	484.25392	-4.9554	0.77	[M+NH4]+	(14 names) Ajugamarin C1; Excavatolide E; (+)-Excavatolide E; 8-Pentanoylneosolaniol; Pachyclavulariolide M; (-)-Pachyclavulariolide M; Milolide B; (+)-Milolide B; Neocaesalpin C; (-)-Neocaesalpin C; Milolide F; (+)-Miloli...	ALL 9 KG 1 KN 7 HM 1	MS2			1

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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