ピーク情報

トマト Micro-Tom 成熟果実の果皮

pos

Peak #1361 MN MID: SE203_S11_M90

m/z: 683.14254, RT: 12.76, 強度: 74382, ログ強度: 1.30, アダクト: [2M+K]+, 共有数（同様のピークを含むサンプル数）: 9

DB検索結果: (3 names) Lepidimoic acid;;Dinitramine

DBごとのヒット数: ALL 3 KG 2 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.091

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
C12H18O10	322.09000	-0.946	Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate	HMDB: HMDB0041096 KEGG: [-1f]C08241 KNApSAcK: C00007670
C12H18O10	322.09000	-0.946		KNApSAcK: C00054555
C11H13O4N4F3	322.08889	2.492	Dinitramine	KEGG: C18785

MSnスペクトル情報

Level: 2, プリカーサーm/z: 683.14221

Splash: splash10-004i-0009011000-f02864adf93b623b916a

m/z	Int.	NL	Rel.Int.
379.12	7241	304	1000
343.08	1760	340	243
665.26	1401	18	193
567.18	1292	116	178
380.23	982	303	135
666.33	416	17	57

Level: 3, プリカーサーm/z: 379.11053

Splash: splash10-03di-0009000000-e619080befabc3943b7e

m/z	Int.	NL	Rel.Int.
361.21	14	18	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(2OH, 1OMe, 1(2-hydroxybenzyl))-B(none)	Dihydrochalcone	Isouvaretin
[Dihydrochalcone]-A(2OH, 1OMe, 1(2-hydroxybenzyl))-B(none)	Dihydrochalcone	Uvaretin
[Dihydrochalcone]-A(2OH, 1OMe, 1(2-hydroxybenzyl))-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone
[Flavanone]-A(1OH, 1([2,3:@@]-(5,6-Dihydroxybenzofurano)))-B(1OH)	Flavanone	Anastatin A
[Flavanone]-A(1OH, 1([2,3:@@]-(5,6-Dihydroxybenzofurano)))-B(1OH)	Flavanone	Anastatin B
[Flavone]-A(1([2,3:@@]-(8,8-Dimethyl-9-hydroxy-6-oxo-1,7-dioxaspiro[4,4]non-2-ene)))-B(none)	Flavone	Glabratephrinol
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Isopongachromene
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavonol	Pongachromene
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1Cl)	Flavonol	Chlorflavonin
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Isojamaicin
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Jamaicin
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Durmillone
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Robustone methyl ether
[Isoflavone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy))	Isoflavone	Glabrescione A
[Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy))	Rotenone	Isomillettone
[Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Rotenone	Millettone

Level: 3, プリカーサーm/z: 343.10919

Splash: splash10-00di-0009000000-5190c55d8de4fc25fb69

m/z	Int.	NL	Rel.Int.
324.76	3	18	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Flavone]-A(1OH)-B(3OH)	Flavone	7,2',4',5'-Tetrahydroxyflavone
0.050	[Isoflavone]-A(1OMe)-B(3OMe)	Isoflavone	7,2',4',5'-Tetramethoxyisoflavone
0.050	[Isoflavone]-A(2OMe)-B(2OMe)	Isoflavone	6,7,3',4'-Tetramethoxyisoflavone
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	Zapotin
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	Cerrosillin
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	5,7,2',5'-tetramethoxyflavone
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	Luteolin 5,7,3',4'-tetramethyl ether
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	Norartocarpetin 5,7,2',4'-tetramethyl ether
0.000	[Flavone]-A(3OMe)-B(1OMe)	Flavone	Scutellarein 5,6,7,4'-tetramethyl ether
0.000	[Flavone]-A(3OMe)-B(1OMe)	Flavone	4',5,7,8-Tetramethoxyflavone
0.000	[Flavone]-A(4OMe)-B(none)	Flavone	5,6,7,8-Tetramethoxyflavone
0.000	[Aurone]-A(2OMe)-B(2OMe)	Aurone	4,6,3',4'-Tetramethoxyaurone
0.000	[Chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Chalcone	3,4-Methylenedioxy-2',4',6'-trimethoxychalcone
0.000	[alpha-Methyl-beta-oxodihydrochalcone]-A(2OMe)-B(1Oxo, 1Methyl, 1([@@]-Methylenedioxy))	alpha-Methyl-beta-oxodihydrochalcone	Tinosporinone
0.000	[Flavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavanone	Brosimacutin C
0.000	[Flavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavone	2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
0.000	[Flavone]-A(2OH, 2Methyl)-B(2OMe)	Flavone	5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(2OMe)	Flavonol	Fisetin tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OMe)	Flavonol	Tetramethylkaempferol
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	Flavonol	8-Desmethylkalmiatin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavonol	6,8-Di-C-methylkaempferol 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(none)	Flavonol	3,5,6,7-Tetramethoxyflavone
0.000	[Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Flavonol	3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(none)	Flavonol	3,5,7,8-Tetramethoxyflavone
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Oxopyrano)))-B(2OH)	Flavan 3-ol	Phyllocoumarin
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Dalpatein
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone F
0.000	[Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(2OMe)	Isoflavone	5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	Isoiriskashmirianin
0.000	[Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Dipteryxine
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Squarrosin
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	Iriskashmirianin
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	Iriskumaonin
0.000	[Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Platycarpanetin
0.000	[Pterocarpene]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	Leiocalycin
0.000	[Pterocarpene]-A(1OMe)-B(3OMe)	Pterocarpene	Bryacarpene 3
0.000	[Rotenone]-A(1OMe)-B(2OMe)	Rotenone	Munduserone
0.000	[4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe)	4-phenylcoumarin	7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe)	4-phenylcoumarin	Sisafolin

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
1361	12.76	683.14254	0.0000	1.30	[2M+K]+	(3 names) Lepidimoic acid; ; Dinitramine	ALL 3 KG 2 KN 1	MS2 MS3 x 2		0.091	9
	12.79	662.21271	-20.9298	0.71	[2M+NH4]+	(2 names) Dinitramine; Lepidimoic acid;	ALL 3 KG 2 KN 1	MS2			7

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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