ピーク情報

パインアップル生

pos

Peak #5142 MN MID: SE117_S070971_M90

m/z: 397.22211, RT: 51.14, 強度: 7119, ログ強度: 0.44, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (11 names) Sinuolatin A;(-)-Sinuolatin A;Tinocordiside;Rubescensin O;(-)-Rubescensin O;Cryptoporic acid H;Isopetasoside;Myriaporone 2;(-)-Myriaporone 2;Myriaporone 1;(+)-Myriaporone 1

DBごとのヒット数: ALL 7 KN 6 HM 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
C21H32O7	396.21480	0.068	Sinuolatin A	KNApSAcK: C00031987, C00048538
C21H32O7	396.21480	0.068	Tinocordiside	KNApSAcK: C00050405
C21H32O7	396.21480	0.068	Rubescensin O	KNApSAcK: C00034658
C21H32O7	396.21480	0.068	Cryptoporic acid H	KNApSAcK: C00035074
C21H32O7	396.21480	0.068	Isopetasoside	HMDB: HMDB0029622
C21H32O7	396.21480	0.068	Myriaporone 1	KNApSAcK: C00039808
C21H32O7	396.21480	0.068	Myriaporone 2	KNApSAcK: C00039809

MSnスペクトル情報

Level: 2, プリカーサーm/z: 397.22217

Splash: splash10-000i-0090000000-673279343146e1a5948e

m/z	Int.	NL	Rel.Int.
235.14	4054	162	1000
217.21	253	180	62

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: 235.12280

Splash: splash10-014i-0090000000-cc13cf33b3ef179ea81b

m/z	Int.	NL	Rel.Int.
217.12	1593	18	1000
199.12	109	36	68