ピーク情報

イチョウ　葉

pos

Peak #1064 MN MID: SE205_S01_M90

m/z: 367.12335, RT: 12.72, 強度: 13815, ログ強度: 0.59, アダクト: [2M-H2O+H]+, [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (7 names) Isopropyl tartaric acid;L-quinate;Valiolone;2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone;5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone;D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone;6,8-Bis...

DBごとのヒット数: ALL 5 KG 3 HM 2

FlavonoidSearch最大スコア MS2: 0.111, MS3: 0.077

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
C7H12O6	192.06339	-0.347	Isopropyl tartaric acid	HMDB: HMDB0302348
C7H12O6	192.06339	-0.347	Quinate	HMDB: HMDB0003072, [-1]HMDB0304404 KEGG: C00296 KNApSAcK: C00001201, C00034185
C7H12O6	192.06339	-0.347	Valiolone	KEGG: C12113, C17694, C17691, C21282
C7H12O6	192.06339	-0.347	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone	KEGG: C01295
C8H16OS2	192.06426	-4.872	6,8-Bis(sulfanyl)octanal	HMDB: HMDB0258126

MSnスペクトル情報

Level: 2, プリカーサーm/z: 367.12326

Splash: splash10-0002-0009000000-b80195fc83709ff077dc

m/z	Int.	NL	Rel.Int.
349.08	895	18	1000
321.20	171	46	190
205.11	92	162	103
331.08	68	36	76
175.07	49	192	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavonol	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether
0.095	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Barpisoflavone C
0.095	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	3'-Hydroxyalpinumisoflavone 4'-methyl ether
0.071	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	Glychalcone A
0.071	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	3,4-Dimethoxylonchocarpin
0.067	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Ponganone III
0.067	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Glyflavanone A
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Coumestan	Mirificoumestan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	Puerarostan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan
0.000	[Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Coumestan	Glycyrol
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	Racemoflavone
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Pterocarpan	Edulenane
0.000	[2'-Hydroxychalcone]-A(2OH, 1(3-methyl-6-oxo-2-hexenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol C
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Praecansone B
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	O-Methylovaliflavanone C
0.000	[Flavone]-A(2OMe, 1(cis-3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	cis-Tephrostachin
0.000	[Flavone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	trans-Tephrostachin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH)	Flavone	Desmodol
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3'-Methoxypongapin
0.000	[Flavonol]-A(2OH, 1Sulfate)-B(1OH)	Flavonol	Kaempferol 8-C-sulfate
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3-methyl ether
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Derrubone
0.000	[Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautenanol
0.000	[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isoglycyrol
0.000	[Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Pachyrrhizone
0.000	[12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Methoxydolineone
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Neofolin

Level: 3, プリカーサーm/z: 349.08044

Splash: splash10-056r-0910000000-f874dc8121f6526bef30

m/z	Int.	NL	Rel.Int.
175.03	122	174	1000
157.12	61	192	502
331.13	24	18	200
139.07	22	210	184
283.23	17	66	136
120.81	15	228	120
243.13	8	106	69

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
0.100	[Dihydroflavonol]-A(1OH, 2OMe)-B(2OH)	Dihydroflavonol	Dihydrogossypetin 7,8-dimethyl ether
0.091	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
0.077	[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
0.050	[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
0.000	[Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Tuberostan
0.000	[Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol C
0.000	[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
0.000	[Flavonol]-A(4OH)-B(1OH, 1OMe)	Flavonol	3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone
0.000	[Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
0.000	[Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none)	Flavone	trans-Anhydrotephrostachin
0.000	[Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
0.000	[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Dryopteric acid
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Calopogoniumisoflavone B
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin E

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報