ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1367 MN MID: SE204_S03_M90

m/z: 531.31695, RT: 29.65, 強度: 2387, ログ強度: -0.01, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (9 names) L-Oleandrosyl-oleandolide;Crenulatoside A;(-)-Crenulatoside A;(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside];Kukoamine D;Diheteropeptin;Kukoamine A;Kukoamine B;Kukoamine C

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
C27H46O10	530.30910	1.077	L-Oleandrosyl-oleandolide	KEGG: C11992 LipidMAPS: LMPK04000033
C27H46O10	530.30910	1.077	Crenulatoside A	KNApSAcK: C00035282
C27H46O10	530.30910	1.077	(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	HMDB: HMDB0040844
C28H42O6N4	530.31044	-1.445	Kukoamine D	HMDB: HMDB0060527 KEGG: C17618
C28H42O6N4	530.31044	-1.445	Diheteropeptin	KNApSAcK: C00016415
C28H42O6N4	530.31044	-1.445	Kukoamine A	HMDB: HMDB0030392 KEGG: C17615 KNApSAcK: C00028433
C28H42O6N4	530.31044	-1.445	Kukoamine B	HMDB: HMDB0060525 KEGG: C17616 KNApSAcK: C00054015
C28H42O6N4	530.31044	-1.445	Kukoamine C	HMDB: HMDB0060526 KEGG: C17617

MSnスペクトル情報

Level: 2, プリカーサーm/z: 531.31738

Splash: splash10-0006-0090000000-2293b650b5d840b20f35

m/z	Int.	NL	Rel.Int.
293.13	7144	238	1000
222.08	1715	309	240
513.36	713	18	99

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Neolinderatin
[Flavanone]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH, 1(2,4-dihydroxyphenyl))	Flavanone	Eriosemaone C
[Flavone]-A(1OH, 1OMe, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Isoswertisin 2''-O-(2'''-methylbutyrate)
[Flavone]-A(1OH, 1OMe, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Isoswertisin 3''-O-(2'''-methylbutyrate)

Level: 3, プリカーサーm/z: 293.09827

Splash: splash10-00di-0090000000-4c186337ab7dec7ce57e

m/z	Int.	NL	Rel.Int.
222.00	3593	71	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Methoxyfurano[2'',3'':6,7]aurone
[2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	2-(alpha-oxobenzyl)benzofuran	Derriobtusone A
[alpha-substituted Chalcone (alpha-Methyl)]-A(1OMe, 1Methyl, 1([2,3:@@]-Furano))-B(none)	alpha-substituted Chalcone	Purpuritenin B
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1Methyl)	Chalcone	Purpuritenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Pongone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Cauliflorin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Glabone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Kanjone
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Pinnatin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Karanjin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Ponganone XI

Level: 3, プリカーサーm/z: 221.97293

Splash: splash10-03di-0900000000-d0500d49f6304d98ce4e

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
164.98	356	57	1000
122.94	49	99	136
194.00	24	28	67