ピーク情報

トマト Micro-Tom 成熟果実の果肉

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Peak #2566 MN MID: SE203_S21_M90

m/z: 363.09181, RT: 32.40, 強度: 26266, ログ強度: 0.94, 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: 7-O-Galloyl-sedoheptulose

DBごとのヒット数: ALL 1 HM 1

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
C14H18O11	362.08491	-1.032	7-O-Galloyl-sedoheptulose	HMDB: HMDB0247276

MSnスペクトル情報

Level: 2, プリカーサーm/z: 363.09174

Splash: splash10-01u0-0669000000-6b1f1b129d66a47e437e

m/z	Int.	NL	Rel.Int.
327.06	8200	36	1000
114.93	6458	248	787
231.05	6179	132	753
345.14	1989	18	242
213.05	1451	150	176
126.98	962	236	117
249.07	499	114	60
344.40	424	19	51

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.056	[Flavanone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavanone	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
0.043	[Flavonol]-A(2OH, 2OMe)-B(2OH)	Flavonol	3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
0.000	[Isoflavan]-A(1OH, 2OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol B
0.000	[Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone
0.000	[Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 8,3'-dimethyl ether
0.000	[Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none)	Flavanone	Isochamanetin
0.000	[Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none)	Flavanone	Chamanetin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(2OH)	Flavonol	5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone
0.000	[Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Flavan 3-ol	3,7,8,3',4'-Pentahydroxy-5-methoxyflavan 3-O-acetate

Level: 3, プリカーサーm/z: 327.04370

Splash: splash10-03di-0090000000-b14a5504e4dbf0901110

m/z	Int.	NL	Rel.Int.
212.98	589	114	1000
223.06	92	104	156
114.85	63	212	107

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3'-prenyldihydrochalcone
[Flavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	Millettocalyxin A
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	Milletenin C
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	7,8-Dimethoxy-3',4'-methylenedioxyflavone
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavone	Eucalyptin
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	5,7-Dimethoxy-3',4'-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Demethoxykanugin
[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavonol	3,5-Dimethoxy-6,7-methylenedioxyflavone
[Flavan 3-ol]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavan 3-ol	Broussinol
[Isoflavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Cuneatin methyl ether
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Fujikinetin methyl ether
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	3',4'-Dimethoxy-6,7-methylenedioxyisoflavone
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Maximaisoflavone D
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	7,8-Dimethoxy-3',4'-methylenedioxyisoflavone
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Derrustone
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Tlatlancuayin
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Irisolone methyl ether
[Isoflavan]-A(1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH)	Isoflavan	Cyclomillinol
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	2-Hydroxyflemichapparin C
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Tephrosol
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Sophoracoumestan B
[6-Hydroxydehydrorotenone (6-OMe)]-A(2OH, 1Methyl)-B(none)	6-Hydroxydehydrorotenone	Boeravinone A
[4-phenylcoumarin]-A(2OMe)-B(1([@@]-Methylenedioxy))	4-phenylcoumarin	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin

Level: 3, プリカーサーm/z: 114.90681

Splash: splash10-000i-9000000000-f392d5062aa771ab3f75

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
	32.40	408.14999	45.0582	-0.24	[M+C2H7N+H]+	7-O-Galloyl-sedoheptulose	ALL 1 HM 1				2
	32.38	401.04790	37.9561	0.66	[M+K]+	7-O-Galloyl-sedoheptulose	ALL 1 HM 1	MS2 MS3		0.286	2
	32.40	385.07387	21.9821	-0.14	[M+Na]+	7-O-Galloyl-sedoheptulose	ALL 1 HM 1	MS2	0.040		2
	32.40	380.11848	17.0267	0.09	[M+NH4]+	7-O-Galloyl-sedoheptulose	ALL 1 HM 1				2
2566	32.40	363.09181	0.0000	0.94	[M+H]+	7-O-Galloyl-sedoheptulose	ALL 1 HM 1	MS2 MS3 x 2	0.056		2

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

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