ピーク情報

カリフラワー花序生

pos

Peak #1344 MN MID: SE114_S060541_M90

m/z: 397.12718, RT: 13.39, 強度: 29945, ログ強度: 1.14, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (27 names) 8-C-Methylvelloquercetin 3-methyl ether;Artoindonesianin S;5,6-Dihydro-1,4,8-trihydroxy-3,10-dimethoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one;Cilinaphthalide A;Collybolide;Mollicellin L;Blanchaq...

DBごとのヒット数: ALL 23 KN 22 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

DB検索結果

ppm

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
C22H20O7	396.12090	-2.524	8-C-Methylvelloquercetin 3-methyl ether	FlavonoidViewer: FL5FDCNF0002 KNApSAcK: C00005105 LipidMAPS: LMPK12112717
C22H20O7	396.12090	-2.524	Artoindonesianin S	FlavonoidViewer: FL3FRNNR0001 KNApSAcK: C00013476 LipidMAPS: LMPK12111535
C22H20O7	396.12090	-2.524	Cilinaphthalide A	KNApSAcK: C00049571
C22H20O7	396.12090	-2.524	Collybolide	KNApSAcK: C00011552
C22H20O7	396.12090	-2.524	Mollicellin L	KNApSAcK: C00048007
C22H20O7	396.12090	-2.524	Blanchaquinone	KNApSAcK: C00043317
C22H20O7	396.12090	-2.524	Velloquercetin 3,3'-dimethyl ether	FlavonoidViewer: FL5FDDNF0001 KNApSAcK: C00005102 LipidMAPS: LMPK12112738
C22H20O7	396.12090	-2.524	beta-Apopicropodophyllin	KNApSAcK: C00034971
C22H20O7	396.12090	-2.524	3-O-Demethylamorphigenin	FlavonoidViewer: FLIF1LNF0010 KNApSAcK: C00009974 LipidMAPS: LMPK12060016
C22H20O7	396.12090	-2.524	Pumilaisoflavone D	FlavonoidViewer: FLIAAINP0001 KNApSAcK: C00009893 LipidMAPS: LMPK12050271
C22H20O7	396.12090	-2.524	Brandisianin B	KNApSAcK: C00038631
C22H20O7	396.12090	-2.524	Artonin L	FlavonoidViewer: FL3FRNNF0002 HMDB: HMDB0040674 KNApSAcK: C00013479 LipidMAPS: LMPK12111520
C22H20O7	396.12090	-2.524	Velloquercetin 3',4'-dimethyl ether	KNApSAcK: C00049326
C22H20O7	396.12090	-2.524	Parimycin	KNApSAcK: C00015123
C22H20O7	396.12090	-2.524	Fernolin	KNApSAcK: C00019869
C22H20O7	396.12090	-2.524	Diffusarotenoid	KNApSAcK: C00019361
C22H20O7	396.12090	-2.524	6,8-Di-O-methylaverufin	HMDB: HMDB0035465
C22H20O7	396.12090	-2.524	4'-Demethyltoxicarol	KNApSAcK: C00019668
C22H20O7	396.12090	-2.524	Monomethylmitorubrin	KNApSAcK: C00053509
C22H20O7	396.12090	-2.524	Elongatin	FlavonoidViewer: FLIAALNP0005 KNApSAcK: C00009512 LipidMAPS: LMPK12050312
C22H20O7	396.12090	-2.524	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	FlavonoidViewer: FL3FAINP0001 KNApSAcK: C00013440 LipidMAPS: LMPK12110872
C22H20O7	396.12090	-2.524	12-Deoxo-12alpha-acetoxyelliptone	KNApSAcK: C00019728
C22H20O7	396.12090	-2.524	Laurenquinone A	KNApSAcK: C00030645

MSnスペクトル情報

Level: 2, プリカーサーm/z: 397.12692

Splash: splash10-0159-0790000000-a5f8c06faff49289d827

m/z	Int.	NL	Rel.Int.
268.03	9698	129	1000
130.02	8892	267	916
204.08	738	193	76

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Isoflavone	Pumilaisoflavone D
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Isoflavone	Elongatin
[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Ponganone IV
[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Glyflavanone B
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	2'-Hydroxychalcone	Glabrachalcone
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	Ponganone VI
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	Glychalcone B
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone
[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Ovalichalcone A
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Pongagallone B
[Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 2Methyl)	Flavone	Muxiangrin III
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artoindonesianin S
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin L
[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	Velloquercetin 3,3'-dimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavonol	8-C-Methylvelloquercetin 3-methyl ether
[Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavonol	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 2OMe)	Isoflavone	5,4'-Dihydroxy-3',5'-dimethoxy-(5''-Isopropenyldihydrofurano)[2'',3'':7,6]isoflavone
[Pterocarpan]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neoraucarpan
[Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1OH, 1OMe)	Rotenone	3-O-Demethylamorphigenin
[Rotenone]-A(1OH, 1(C-Prenyl))-B(2OMe)	Rotenone	Rotenonic acid
[4-Benzoylchroman]-A(2OMe)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	4-Benzoylchroman	Rotenol

Level: 3, プリカーサーm/z: 130.07054

Splash: splash10-001i-9000000000-9a496e01e2e5ded4ccd2

m/z	Int.	NL	Rel.Int.
84.01	10	46	1000

Level: 3, プリカーサーm/z: 267.95334

Splash: splash10-03di-0000900000-e34ceebe93e4f2955638