ピーク情報

シロイヌナズナ　地上部

pos

Peak #10962 MN MID: SE200_S1_M90

m/z: 829.47198, RT: 91.94, 強度: 2073290, ログ強度: 2.75, アダクト: [M+CH3OH-2(H2O)+Na]+, [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: (2 names) Thalictoside I;Goyaglycoside g

DBごとのヒット数: ALL 2 KN 1 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
C43H70O14	810.47656	1.374	Thalictoside I	KNApSAcK: C00032319, C00032320
C43H70O14	810.47656	1.374	Goyaglycoside g	HMDB: HMDB0038350

MSnスペクトル情報

Level: 2, プリカーサーm/z: 829.46912

Splash: splash10-0a4i-0000090000-f5a2f30814d7958ec772

m/z	Int.	NL	Rel.Int.
505.31	229603	324	1000
565.38	100265	264	436
506.44	16899	323	73

Level: 3, プリカーサーm/z: 565.41058

Splash: splash10-001i-0001900000-420333afb30384b782ae

m/z	Int.	NL	Rel.Int.
481.30	16842	84	1000
409.29	6733	156	399
347.37	4110	218	244
403.41	3649	162	216
423.30	3456	142	205
482.46	3444	83	204
241.20	1670	324	99
313.12	1499	252	89
533.40	1127	32	66
410.36	1117	155	66
451.28	1115	114	66

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH)	Flavone	Vicenin 1
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Schaftoside
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH)	Flavone	Isocorymboside
[Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH)	Flavone	Neocorymboside
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH)	Flavone	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH)	Flavone	6-C-Galactopyranosyl-8-C-xylopyranosylapigenin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH)	Flavone	Vicenin 3
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Isoschaftoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Neoschaftoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Neoisoschaftoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Apiofuranosyl))-B(1OH)	Flavone	6-C-beta-D-Glucopyranosyl-8-C-beta-D-apiofuranosylapigenin
[Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH)	Flavone	Corymboside

Level: 3, プリカーサーm/z: 505.34729

Splash: splash10-0006-0095200000-bebdf3b05da602377204

m/z	Int.	NL	Rel.Int.
243.07	6070	262	1000
343.31	5169	162	851
287.12	2697	218	444
436.29	1577	69	259
241.15	1311	264	215
341.22	987	164	162
344.12	959	161	158
203.04	928	302	152
257.08	914	248	150
259.11	780	246	128
313.14	717	192	118
327.21	537	178	88
435.34	445	70	73
431.24	428	74	70
273.37	406	232	66
245.05	368	260	60
477.21	352	28	58
437.27	335	68	55
244.09	315	261	51

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	Amoricin
[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH, 1OMe)	Flavone	Scoparin 6''-O-acetate
[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe, 1Geranyl)-B(2OH)	3-substituted Flavone	Brosimone H
[Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	Flavone	Heterophyllin
[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artocommunol CC
[CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone	Sanggenon L
[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sorocein D
[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sorocein E
[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Broussoflavonol D
[Flavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavonol	Poinsettifolin A
[Flavonol]-A(1OH, 1Geranyl, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavonol	Dorsmanin C
[Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Coumaranochromon	Euchretin 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	共有数
10962	91.94	829.47198	0.0000	2.75	[M+CH3OH-2(H2O)+Na]+, [M+Na]+	(2 names) Thalictoside I; Goyaglycoside g	ALL 2 KN 1 HM 1	MS2 MS3 x 2	1
	92.12	824.51610	-4.9559	2.13	[M+CH5N+H]+, [M+NH4]+, [M+CH3OH-2(H2O)+NH4]+	(2 names) Stichoposide; Sanguisorbin E	ALL 2 HM 2	MS2	2
	91.75	824.51605	-4.9559	1.81	[M+CH5N+H]+, [M+NH4]+, [M+CH3OH-2(H2O)+NH4]+	(2 names) Stichoposide; Sanguisorbin E	ALL 2 HM 2	MS2	2
	92.10	807.49118	-21.9808	2.20	[M+CH3OH-H2O+H]+, [M+CH3OH+IsoProp+Na]+, [M+H]+	(2 names) Stichoposide; Sanguisorbin E	ALL 2 HM 2		1
	91.45	797.44754	-32.0244	1.32	[M+Na]+	(2 names) 1-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(10-(1'Z,3'Z-hexadienyloxy)-7Z,9E-decadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; Arabidopside A	ALL 2 KN 1 LM 1	MS2 MS3 x 2	1

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MSnスペクトル情報

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