ピーク情報

タバコBY-2細胞　培地　3日目

pos

Peak #856 MN MID: SE204_S13_M90

m/z: 361.05313, RT: 13.17, 強度: 2813, ログ強度: -0.14, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 8

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: -

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	-0.085	Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate	HMDB: HMDB0041096 KEGG: [-1f]C08241 KNApSAcK: C00007670
C12H18O10	322.09000	-0.085		KNApSAcK: C00054555
C11H13O4N4F3	322.08889	3.353	Dinitramine	KEGG: C18785

MSnスペクトル情報

Level: 2, プリカーサーm/z: 361.05316

Splash: splash10-0udi-0390000000-7f7dc81b2ed40250b95b

m/z	Int.	NL	Rel.Int.
200.94	1403	160	1000
198.96	546	162	389
325.65	112	35	79

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH)-B(1OH, 3OMe)	Flavone	5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone
[Flavone]-A(2OH)-B(1OH, 3OMe)	Flavone	5,7,4'-Trihydroxy-2',3',5'-trimethoxyflavone
[Flavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,7,4'-Trihydroxy-6,3',5'-trimethoxyflavone
[Flavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone
[Flavone]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
[Flavone]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,3',4'-Trihydroxy-6,7,5'-trimethoxyflavone
[Flavone]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavone	Arcapillin
[Flavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,7,3'-Trihydroxy-8,4',5'-trimethoxyflavone
[Flavone]-A(1OH, 3OMe)-B(2OH)	Flavone	5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone
[Flavone]-A(1OH, 3OMe)-B(2OH)	Flavone	5,2',6'-Trihydroxy-6,7,8-trimethoxyflavone
[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	5,6,2'-Trihydroxy-7,8,6'-trimethoxyflavone
[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	Sudachitin
[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	Acerosin
[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	Isothymonin
[Flavone]-A(1OH, 3OMe)-B(2OH)	Flavone	Sideritiflavone
[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone
[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	5,7,3'-Trihydroxy-6,8,4'-trimethoxyflavone
[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	Thymonin
[Flavone]-A(1OH, 3OMe)-B(2OH)	Flavone	Tamadone
[Chalcone]-A(1OH, 4OMe)-B(1OH)	Chalcone	4,3'-Hydroxy-2',4',5',6'-methoxychalcone
[Isoflavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavone	5,7,4'-Trihydroxy-6,3',5'-trimethoxyisoflavone
[Isoflavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavone	Irigenin
[Flavanone]-A(1OH, 1OMe)-B(3OMe)	Flavanone	5-Hydroxy-7,3',4',5'-tetramethoxyflavanone
[Flavanone]-A(1OH, 1OMe)-B(3OMe)	Flavanone	Heteroflavanone A
[Flavanone]-A(1OH, 2OMe)-B(2OMe)	Flavanone	Agestricin C
[Flavanone]-A(1OH, 2OMe)-B(2OMe)	Flavanone	5-Hydroxy-6,7,3',4'-tetramethoxyflavanone
[Flavanone]-A(1OH, 3OMe)-B(1OMe)	Flavanone	5-Hydroxy-6,7,8,4'-tetramethoxyflavanone
[Flavanone]-A(3OMe)-B(1OH, 1OMe)	Flavanone	Agecorynin E
[2'-Hydroxychalcone]-A(2OH, 3OMe)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone
[Flavonol]-A(2OH)-B(3OMe)	Flavonol	3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Quercetagetin 6,3',4'-trimethyl ether
[Flavonol]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Quercetagetin 7,3',4'-trimethyl ether
[Flavonol]-A(2OH, 1OMe)-B(2OMe)	Flavonol	3,5,8-Trihydroxy-7,2',3'-trimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Gossypetin 8,3',4'-trimethyl ether
[Flavonol]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Veronicafolin
[Flavonol]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Eupatin
[Flavonol]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone
[Flavonol]-A(1OH, 3OMe)-B(1OH)	Flavonol	3,5,4'-Trihydroxy-6,7,8-trimethoxyflavone
[Flavonol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Myricetin 7,3',4'-trimethyl ether
[Pterocarpan]-A(2OMe)-B(1OH, 2OMe)	Pterocarpan	8-Hydroxy-3,4,9,10-tetramethoxypterocarpan
[Dihydrochalcone]-A(2OH)-B(1OH, 1(2,3-Dihydroxy-3-methylbutyl))	Dihydrochalcone	Brosimacutin H
[Dihydrochalcone]-A(1OH)-B(2OH, 1(2,3-Dihydroxy-3-methylbutyl))	Dihydrochalcone	Brosimacutin I
[Flavanone]-A(2OH, 2Methyl)-B(1OH, 2OMe)	Flavanone	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
[Flavanone]-A(2OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	Agamanone
[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)-C(1(O-Acetyl))	Dihydroflavonol	Dihydroisorhamnetin 3-O-acetate
[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Dihydroflavonol	Padmatin 3-O-acetate
[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	6-Methoxyaromadendrin 3-O-acetate
[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-acetate
[Flavonol (3-OMe)]-A(2OH)-B(1OH, 2OMe)	Flavonol	Myricetin 3,3',4'-trimethyl ether
[Flavonol (3-OMe)]-A(2OH)-B(1OH, 2OMe)	Flavonol	Myricetin 3,3',5'-trimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	7,4',5'-Trihydroxy-3,5,3'-trimethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Myricetin 3,7,3'-trimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Myricetin 3,7,4'-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH, 1OMe)	Flavonol	6-C-Methylmyricetin 3,4'-dimethyl ether
[Flavonol]-A(2OH, 2Methyl)-B(2OH, 1OMe)	Flavonol	6,8-Di-C-methylmyricetin 4'-methyl ether
[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(3OH)	Flavonol	6,8-Di-C-methylmyricetin 3-methyl ether
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Oxyayanin A
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Chrysosplenol F
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Apuleidin
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	5,2',3'-Trihydroxy-3,6,7-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Jaceidin
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Chrysosplenol C
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Centaureidin
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	Quercetagetin 3,5,7-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,6,3'-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,6,4'-trimethyl ether
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	Chrysosplenol D
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,7,3'-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Oxyayanin-B
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	5,2',3'-Trihydroxy-3,7,8-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	5,7,2'-Trihydroxy-3,6,4'-trimethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Gossypetin 3,7,3'-trimethyl ether
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	Gossypetin 3,7,8-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Gossypetin 3,8,3'-trimethyl ether
[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(1OMe)	Flavonol	5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH)	Flavonol	5,8,4'-Trihydroxy-3,6,7-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH)	Flavonol	Sarothrin
[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Hydroxy-4-methyldihydropyrano)))-B(2OH)	Flavan 3-ol	Pyranochromene
[CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH, 1OMe)	CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan	Elaeocyanidin
[Flavan 3,4-diol (3,4-OMe)]-A(1OMe)-B(2OMe)	Flavan 3,4-diol	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(2OMe)-B(2OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Abruquinone A

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
856	13.17	361.05313	0.0000	-0.14	[M+K]+	(3 names) Lepidimoic acid; ; Dinitramine	ALL 3 KG 2 KN 1	MS2			8
	13.19	340.12376	-20.9294	-0.41	[M+NH4]+	(3 names) Lepidimoic acid; ; Dinitramine	ALL 3 KG 2 KN 1				9

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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