ピーク情報

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Peak #7178 MN MID: SE199_S41_M90

m/z: 541.17062, RT: 74.56, 強度: 10083, ログ強度: 0.41, 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: (6 names) Cleistanthin A;Curtisian I;(-)-Curtisian I;Dukunolide C;Cleistanthin A;Aloe resin A

DBごとのヒット数: ALL 5 KG 2 KN 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.500

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
C28H28O11	540.16316	0.344	Cleistanthin A	KEGG: C10548
C28H28O11	540.16316	0.344	Curtisian I	KNApSAcK: C00031708
C28H28O11	540.16316	0.344	Dukunolide C	HMDB: HMDB0035204 KNApSAcK: C00035089
C28H28O11	540.16316	0.344	Cleistanthin A	KNApSAcK: C00002590
C28H28O11	540.16316	0.344	2''-o-p-Coumaroylaloesin	KEGG: C17781 KNApSAcK: C00014109, C00050858

MSnスペクトル情報

Level: 2, プリカーサーm/z: 541.16913

Splash: splash10-0002-0009000000-eb56ee2033469a19ce4b

m/z	Int.	NL	Rel.Int.
345.13	22223	196	1000

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavanone]-A(1OH, 1Methyl, 1([2,3:@@]-(8a-Hydroxy-4-phenyl-6,6,8,8-tetramethyl-5,7-dioxy-4,4a,8,8a-tetrahydrochromeno)))-B(none)	Flavanone	Leucadenone A
0.000	[Flavan 3-ol]-A(2OH, 1(2,4,6-Trihydroxy-3-methyl-5-(2-methylbutyryl)benzyl))-B(2OH)	Flavan 3-ol	Pilosanol A

Level: 3, プリカーサーm/z: 345.12653

Splash: splash10-0059-0019000000-83101415d22dbc522762

m/z	Int.	NL	Rel.Int.
329.15	7992	16	1000
330.14	4747	15	593
284.07	2003	61	250
345.14	432	-0	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.500	[Flavone]-A(2OH)-B(3OMe)	Flavone	Prosogerin E
0.500	[Flavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavone	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
0.500	[Flavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,5'-Dihydroxy-8,3',4'-trimethoxyflavone
0.500	[Flavone]-A(2OH)-B(3OMe)	Flavone	Tricetin 3',4',5'-trimethyl ether
0.500	[Flavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavone	Lethedocin
0.500	[Flavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,4'-dihydroxy-7,3',5'-trimethoxyflavone
0.500	[Flavone]-A(3OMe)-B(2OH)	Flavone	3',4'-Dihydroxy-5,6,7-trimethoxyflavone
0.500	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	Eupatilin
0.500	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	Cirsilineol
0.500	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	Eupatorin
0.500	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	6-Hydroxyluteolin 7,3',4'-trimethyl ether
0.500	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	Wightin
0.500	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	Rivularin (flavone)
0.500	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	5,7-Dihydroxy-8,2',6'-trimethoxyflavone
0.500	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	5,7-Dihydroxy-8,3',5'trimethoxyflavone
0.500	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
0.500	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	Hypolaetin 8,3',4'-trimethyl ether
0.500	[Flavone]-A(1OH, 3OMe)-B(1OH)	Flavone	Tenaxin I
0.500	[Flavone]-A(2OH, 2OMe)-B(1OMe)	Flavone	Pedunculin
0.500	[Flavone]-A(1OH, 3OMe)-B(1OH)	Flavone	Xanthomicrol
0.500	[Flavone]-A(2OH, 2OMe)-B(1OMe)	Flavone	Nevadensin
0.500	[Flavone]-A(2OH, 2OMe)-B(1OMe)	Flavone	5,6-Dihydroxy-7,8,4'-trimethoxyflavone
0.200	[Anthocyanidin]-A(1OH, 1OMe)-B(1OH, 2OMe)	Anthocyanidin	3,7,4'-Trihydroxy-5,3',5'-trimethoxyflavylium
0.200	[Anthocyanidin]-A(1OH, 1OMe)-B(1OH, 2OMe)	Anthocyanidin	Hirsutidin
0.150	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Isoflavone	Derrugenin
0.150	[Isoflavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Isoflavone	5,3'-Dihydroxy-7,8,2'-trimethoxyisoflavone
0.150	[Isoflavone]-A(2OH, 1OMe)-B(2OMe)	Isoflavone	Junipegenin B
0.150	[Isoflavone]-A(2OH, 1OMe)-B(2OMe)	Isoflavone	5,7-Dihydroxy-8,3',4'-trimethoxyisoflavone
0.150	[Isoflavone]-A(2OH)-B(3OMe)	Isoflavone	Panchovillin
0.118	[Flavonol]-A(1OMe)-B(1OH, 2OMe)	Flavonol	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone
0.118	[Flavonol]-A(1OH, 2OMe)-B(1OMe)	Flavonol	Mikanin
0.118	[Flavonol]-A(1OH, 2OMe)-B(1OMe)	Flavonol	Tambulin
0.118	[Flavonol]-A(1OH, 1OMe)-B(2OMe)	Flavonol	3,7-Dihydroxy-5,3',4'-trimethoxyflavone
0.118	[Flavonol]-A(1OH, 1OMe)-B(2OMe)	Flavonol	Quercetin 7,3',4'-trimethyl ether
0.118	[Flavonol]-A(1OH, 3OMe)-B(none)	Flavonol	3,5-Dihydroxy-6,7,8-trimethoxyflavone
0.118	[Flavonol]-A(3OMe)-B(1OH)	Flavonol	Candidol
0.091	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OMe)	2'-Hydroxychalcone	6'-Hydroxy-4,2',3',4'-tetramethoxychalcone
0.091	[2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none)	2'-Hydroxychalcone	3'-Hydroxy-2',4',5',6'-tetramethoxychalcone
0.091	[2'-Hydroxychalcone]-A(1OH, 4OMe)-B(none)	2'-Hydroxychalcone	Kanakugiol
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(2OMe)	2'-Hydroxychalcone	Okanin 3,4,3',4'-tetramethyl ether
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(2OMe)	2'-Hydroxychalcone	2'-Hydroxy-2,3,4',6'-tetramethoxychalcone
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(2OMe)	2'-Hydroxychalcone	2'-Hydroxy-3,4,4',6'-tetramethoxychalcone
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(2OMe)	2'-Hydroxychalcone	Cerasidin
0.077	[Flavanone]-A(4OMe)-B(none)	Flavanone	Kanakugin
0.077	[Flavanone]-A(3OMe)-B(1OMe)	Flavanone	5,6,7,4'-Tetramethoxyflavanone
0.077	[Flavanone]-A(2OMe)-B(2OMe)	Flavanone	5,7,2',5'-Tetramethoxyflavanone
0.077	[Flavanone]-A(2OMe)-B(2OMe)	Flavanone	Arjunone
0.000	[Aurone]-A(3OMe)-B(2OH)	Aurone	Hamiltrone
0.000	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Agestricin A
0.000	[Dihydrochalcone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Dihydrochalcone	2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone
0.000	[Dihydrochalcone beta-ol (2-OMe)]-A(1([@@]-Methylenedioxy))-B(2OMe)	Dihydrochalcone beta-ol	Dihydroisomilletenone methyl ether
0.000	[Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy))	Dihydrochalcone beta-ol	Dihydromilletenone methyl ether
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(2OMe)	Flavanone	5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone
0.000	[Flavanone]-A(2OMe, 1Methyl)-B(1OH, 1OMe)	Flavanone	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
0.000	[Flavanone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavanone	Agestricin B
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone	Breverin
0.000	[Flavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-Furano))-B(none)	Flavone	Sanaganone
0.000	[Dihydroflavonol]-A(2OH)-B(1OMe)-C(1(O-Acetyl))	Dihydroflavonol	Aromadendrin 4'-methyl ether 3-O-acetate
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	Aromadendrin 7-methyl ether 3-O-acetate
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(2OH, 1OMe)	Flavonol	4',5'-Dihydroxy-3,7,3'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OMe)	Flavonol	Quercetin 3,3',4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 3,5,3'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Pachypodol
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Ayanin
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(1OH, 1OMe)	Flavonol	6-C-Methylquercetin 3,3'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(2OH)	Flavonol	2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(2OH)	Flavonol	2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OMe)	Flavonol	Morin 3,2',4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Morin 3,7,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 3,5,7-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Santin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH)	Flavonol	Penduletin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Tanetin
0.000	[Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(2OH)	Flavonol	5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone
0.000	[Flavonol]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Flavonol	3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH)	Flavonol	5,2'-Dihydroxy-3,7,8-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Herbacetin 3,7,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH)	Flavonol	Herbacetin 3,7,8-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Herbacetin 3,8,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(1OH)	Flavonol	5,8,4'-Trihydroxy-3,7-dimethoxy-6-methylflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(2OH)	Flavonol	Wharangin
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(none)	Flavonol	5,8-Dihydroxy-3,6,7-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(none)	Flavonol	Araneol
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(2OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavone	Benthamianin
0.000	[Flavan]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([@@]-Methylenedioxy))	Flavan	5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan
0.000	[Pterocarpan]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	2-Hydroxy-4-methoxypterocarpin
0.000	[Pterocarpan-6a-ol]-A(2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Lathycarpin
0.000	[Pterocarpene]-A(1OH, 1OMe)-B(1OH, 2OMe)	Pterocarpene	Bryacarpene 1
0.000	[12a-Hydroxyrotenone]-A(1OH, 1OMe, 1Methyl)-B(1OH)	12a-Hydroxyrotenone	Boeravinone C
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(1OH, 1OMe)	4-phenylcoumarin	8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin