ピーク情報

トマト Micro-Tom 花

pos

Peak #1519 MN MID: SE203_S31_M90

m/z: 531.31690, RT: 14.31, 強度: 160744, ログ強度: 1.55, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

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	1.000	L-Oleandrosyl-oleandolide	KEGG: C11992 LipidMAPS: LMPK04000033
C27H46O10	530.30910	1.000	Crenulatoside A	KNApSAcK: C00035282
C27H46O10	530.30910	1.000	(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	HMDB: HMDB0040844
C28H42O6N4	530.31044	-1.521	Kukoamine D	HMDB: HMDB0060527 KEGG: C17618
C28H42O6N4	530.31044	-1.521	Diheteropeptin	KNApSAcK: C00016415
C28H42O6N4	530.31044	-1.521	Kukoamine A	HMDB: HMDB0030392 KEGG: C17615 KNApSAcK: C00028433
C28H42O6N4	530.31044	-1.521	Kukoamine B	HMDB: HMDB0060525 KEGG: C17616 KNApSAcK: C00054015
C28H42O6N4	530.31044	-1.521	Kukoamine C	HMDB: HMDB0060526 KEGG: C17617

MSnスペクトル情報

Level: 2, プリカーサーm/z: 531.31677

Splash: splash10-0006-0090000000-8713943893ab5a0e6c26

m/z	Int.	NL	Rel.Int.
293.26	398400	238	1000
222.07	97481	309	244
294.21	65820	237	165
513.39	39129	18	98

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: 293.25977

Splash: splash10-00di-0090000000-959d64ec9a67d3ae739e

m/z	Int.	NL	Rel.Int.
222.09	244670	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: 222.05568

Splash: splash10-014i-0900000000-904f041797056ed5bbf5

m/z	Int.	NL	Rel.Int.
165.05	24693	57	1000
123.00	3561	99	144
194.10	1249	28	50

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
1519	14.31	531.31690	0.0000	1.55	[M+H]+	(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	ALL 8 KG 5 KN 2 HM 1	MS2 MS3 x 2			4
	14.36	266.16226	-265.1546	1.27	[M+2H]2+	(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			2

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MSnスペクトル情報

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