ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #4555 MN MID: SE205_S08_M90

m/z: 309.09683, RT: 48.32, 強度: 119286, ログ強度: 1.48, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (11 names) 4-Methylumbelliferyl beta-D-xylopyranoside;Allamandicin;Dihydrofusarubin; rel-(3R,4aR,10aR)-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-7-methoxy-3-methyl-3,6,9-trihydroxy-1H-naphthol[2,3-c]pyran;(1R)-2-Oxo-...

DBごとのヒット数: ALL 8 KG 1 KN 4 HM 3

FlavonoidSearch最大スコア MS2: 0.056, 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
C15H16O7	308.08960	-0.153	4-Methylumbelliferyl beta-D-xylopyranoside	HMDB: HMDB0247186
C15H16O7	308.08960	-0.153	Allamandicin	KNApSAcK: C00010731
C15H16O7	308.08960	-0.153	Dihydrofusarubin	KNApSAcK: C00023702
C15H16O7	308.08960	-0.153	(1R)-2-Oxo-3,4-dehydroneomajucin	KNApSAcK: C00045145, C00045146
C15H16O7	308.08960	-0.153	Allamandin	KEGG: C09766 KNApSAcK: C00003069
C15H16O7	308.08960	-0.153	Mikamicranolide	KNApSAcK: C00043724
C15H16O7	308.08960	-0.153	4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)	HMDB: HMDB0040692
C16H12O3N4	308.09094	-4.494	2-Ethoxy-6(5-tetrazolyl)xanthone	HMDB: HMDB0247563

MSnスペクトル情報

Level: 2, プリカーサーm/z: 309.09662

Splash: splash10-0002-0910000000-10a3888baa4902b312b8

m/z	Int.	NL	Rel.Int.
146.91	1461674	162	1000
291.03	277102	18	189

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.056	[Flavanone]-A(1OH, 1(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone B
0.056	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isocordoin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3'-(1,1-Dimethylallyl)chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	O-Methylpongamol
0.000	[Flavanone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavonol	3-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neodulin

Level: 3, プリカーサーm/z: 291.09210

Splash: splash10-0002-0900000000-0e03e7043a4a0ea65a80

m/z	Int.	NL	Rel.Int.
146.95	127948	144	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH)-B(2OH)	Dihydrochalcone	3,4,2',4',6'-Pentahydroxydihydrochalcone
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Mesquitol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	3,5,7,3',5'-Pentahydroxyflavan
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Catechin
[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	Robinetinidol
[Dihydrochalcone alpha-ol]-A(3OH)-B(1OH)	Dihydrochalcone alpha-ol	Nubigenol
[Dihydrochalcone alpha-ol]-A(2OH)-B(2OH)	Dihydrochalcone alpha-ol	3,4,2',4',alpha-Pentahydroxydihydrochalcone
[Flavan 4-ol]-A(2OH)-B(2OH)	Flavan 4-ol	Luteoforol
[Flavan 3,4-diol]-A(1OH)-B(2OH)	Flavan 3,4-diol	3,4,7,3',4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,7,8,4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,5,7,4'-Pentahydroxyflavan

Level: 3, プリカーサーm/z: 146.93225

Splash: splash10-014i-0900000000-de681dccd9f2188811db

m/z	Int.	NL	Rel.Int.
118.93	75041	28	1000

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
4555	48.32	309.09683	0.0000	1.48	[M+H]+	(11 names) 4-Methylumbelliferyl beta-D-xylopyranoside; Allamandicin; Dihydrofusarubin; rel-(3R,4aR,10aR)-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-7-methoxy-3-methyl-3,6,9-trihydroxy-1H-naphthol[2,3-c]pyran; (1R)-2-Oxo-...	ALL 8 KG 1 KN 4 HM 3	MS2 MS3 x 2	0.056		2
	48.32	291.08634	-18.0105	0.18	[M-H2O+H]+	(11 names) 4-Methylumbelliferyl beta-D-xylopyranoside; Allamandicin; Dihydrofusarubin; rel-(3R,4aR,10aR)-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-7-methoxy-3-methyl-3,6,9-trihydroxy-1H-naphthol[2,3-c]pyran; (1R)-2-Oxo-...	ALL 8 KG 1 KN 4 HM 3				1

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MSnスペクトル情報

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