ピーク情報

こむぎ［パン類］食パン

pos

Peak #9081 MN MID: SE112_S010261_M90

m/z: 553.29964, RT: 100.01, 強度: 22509, ログ強度: 0.96, 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: (9 names) Kukoamine D;Diheteropeptin;Kukoamine A;Kukoamine B;Kukoamine C;L-Oleandrosyl-oleandolide;Crenulatoside A;(-)-Crenulatoside A;(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]

DBごとのヒット数: ALL 8 KG 5 KN 2 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
C28H42O6N4	530.31044	-0.027	Kukoamine D	HMDB: HMDB0060527 KEGG: C17618
C28H42O6N4	530.31044	-0.027	Diheteropeptin	KNApSAcK: C00016415
C28H42O6N4	530.31044	-0.027	Kukoamine A	HMDB: HMDB0030392 KEGG: C17615 KNApSAcK: C00028433
C28H42O6N4	530.31044	-0.027	Kukoamine B	HMDB: HMDB0060525 KEGG: C17616 KNApSAcK: C00054015
C28H42O6N4	530.31044	-0.027	Kukoamine C	HMDB: HMDB0060526 KEGG: C17617
C27H46O10	530.30910	2.495	L-Oleandrosyl-oleandolide	KEGG: C11992 LipidMAPS: LMPK04000033
C27H46O10	530.30910	2.495	Crenulatoside A	KNApSAcK: C00035282
C27H46O10	530.30910	2.495	(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	HMDB: HMDB0040844

MSnスペクトル情報

Level: 2, プリカーサーm/z: 553.29956

Splash: splash10-000i-0000900000-6beb35674c10bfb2dfe5

m/z	Int.	NL	Rel.Int.
435.33	6440	118	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(1(O-p-Hydroxybenzoyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-p-hydroxybenzoate
[Flavone]-A(2OH, 1(C-Glu), 1(1-(4-Hydroxyphenyl)ethyl))-B(1OH)	Flavone	Cucumerin B
[Flavone]-A(2OH, 1(C-Glu), 1(1-(4-Hydroxyphenyl)ethyl))-B(1OH)	Flavone	Cucumerin A

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	FS3	共有数
	100.03	562.35976	9.0601	1.19	[M+CH5N+H]+	(9 names) Kukoamine D; Diheteropeptin; Kukoamine A; Kukoamine B; Kukoamine C; L-Oleandrosyl-oleandolide; Crenulatoside A; (-)-Crenulatoside A; (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	ALL 8 KG 5 KN 2 HM 1	MS2 MS3		1
9081	100.01	553.29964	0.0000	0.96	[M+Na]+	(9 names) Kukoamine D; Diheteropeptin; Kukoamine A; Kukoamine B; Kukoamine C; L-Oleandrosyl-oleandolide; Crenulatoside A; (-)-Crenulatoside A; (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	ALL 8 KG 5 KN 2 HM 1	MS2		1
	100.01	548.34414	-4.9555	1.77	[M+NH4]+	(9 names) Kukoamine D; Diheteropeptin; Kukoamine A; Kukoamine B; Kukoamine C; L-Oleandrosyl-oleandolide; Crenulatoside A; (-)-Crenulatoside A; (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	ALL 8 KG 5 KN 2 HM 1	MS2 MS3 x 2	0.143	2
	100.04	531.31759	-21.9821	0.56	[M+H]+	(9 names) Kukoamine D; Diheteropeptin; Kukoamine A; Kukoamine B; Kukoamine C; L-Oleandrosyl-oleandolide; Crenulatoside A; (-)-Crenulatoside A; (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	ALL 8 KG 5 KN 2 HM 1			1

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

関連ピーク情報