ピーク情報

（かんきつ類）ゆず果汁生

pos

Peak #576 MN MID: SE123_S071431_M90

m/z: 543.13177, RT: 11.64, 強度: 46793, ログ強度: 1.29, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 160

DB検索結果: (32 names) Galactotriose;;1-Kestose;Panose;4-alpha-Isomaltosylglucose;Maltotriose;alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose;3-beta-Gentiobiosylglucose;O-alpha-D-Mannopyranosyl-(1-4)-O...

DBごとのヒット数: ALL 31 KG 15 KN 3 HM 13

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
C18H32O16	504.16903	-0.830	1,3-beta-D-Oligoglucan	HMDB: HMDB0029922 KEGG: C03200, C00771, C07283
C18H32O16	504.16903	-0.830	Galactogen	KEGG: C01698
C18H32O16	504.16903	-0.830	1-Kestose	HMDB: HMDB0011729 KEGG: C03661 KNApSAcK: C00048937
C18H32O16	504.16903	-0.830	Panose	KNApSAcK: C00050489
C18H32O16	504.16903	-0.830	Maltotriose	HMDB: HMDB0246628 KNApSAcK: C00055979
C18H32O16	504.16903	-0.830	alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose	HMDB: HMDB0039704
C18H32O16	504.16903	-0.830	3-beta-Gentiobiosylglucose	HMDB: HMDB0039703
C18H32O16	504.16903	-0.830	O-alpha-D-Mannopyranosyl-(1-4)-O-alpha-D-mannopyranosyl-(1-4)-alpha-D-mannopyranose	HMDB: HMDB0247818
C18H32O16	504.16903	-0.830	beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose	HMDB: HMDB0038853
C18H32O16	504.16903	-0.830	Umbelliferose	HMDB: HMDB0033748 KEGG: C08251 KNApSAcK: C00001153
C18H32O16	504.16903	-0.830	Planteose	HMDB: HMDB0302793 KEGG: C03848 KNApSAcK: C00001144
C18H32O16	504.16903	-0.830	1,2-beta-Oligomannan	HMDB: HMDB0040984 KEGG: C21335, C21454
C18H32O16	504.16903	-0.830	Levan	HMDB: HMDB0003539
C18H32O16	504.16903	-0.830	Melezitose	HMDB: HMDB0011730 KEGG: C08243 KNApSAcK: C00001141
C18H32O16	504.16903	-0.830	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside	HMDB: HMDB0029930
C18H32O16	504.16903	-0.830	beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose	HMDB: HMDB0038851
C18H32O16	504.16903	-0.830	3-Galactosyllactose	HMDB: HMDB0006599, HMDB0039706, HMDB0246251
C18H32O16	504.16903	-0.830	Raffinose	HMDB: HMDB0003213, HMDB0034072 KEGG: C08239, C00492 KNApSAcK: C00001135, C00001145
C18H32O16	504.16903	-0.830	3-beta-Cellobiosylglucose	HMDB: HMDB0039708
C18H32O16	504.16903	-0.830	6-Kestose	HMDB: HMDB0033673
C18H32O16	504.16903	-0.830	6-alpha-Maltosylglucose	HMDB: HMDB0039707 KEGG: C03367, C04417
C18H32O16	504.16903	-0.830	Neokestose	HMDB: HMDB0029921
C18H32O16	504.16903	-0.830	1-alpha-D-[(1->4)-alpha-D-Glucosyl](n-1)-alpha-D-glucopyranoside	KEGG: C06400
C18H32O16	504.16903	-0.830	Manninotriose	HMDB: HMDB0041948, HMDB0247628 KNApSAcK: C00050475, C00051462
C18H32O16	504.16903	-0.830	Galactomannan	HMDB: HMDB0029929 KEGG: C00883
C18H32O16	504.16903	-0.830	Levan	HMDB: HMDB0254045 KEGG: C06215
C18H32O16	504.16903	-0.830	Polysaccharide	HMDB: HMDB0001262, HMDB0006857, HMDB0038852 KEGG: C00420, C01835, C01935, C01898, C06219, C17207
C18H32O16	504.16903	-0.830	Panose	HMDB: HMDB0029937 KEGG: C00713
C18H32O16	504.16903	-0.830	P(k) Trisaccharide	HMDB: HMDB0242554
C18H32O16	504.16903	-0.830	Isomaltotriose	HMDB: HMDB0029910, HMDB0060468 KEGG: C02160, C02493, C05404
C18H32O16	504.16903	-0.830	Fagopyritol B2	HMDB: HMDB0035322, HMDB0040181

MSnスペクトル情報

Level: 2, プリカーサーm/z: 543.13013

Splash: splash10-001i-0009000000-4bbdfdfadb7933fa6e59

m/z	Int.	NL	Rel.Int.
381.09	26103	162	1000
363.18	4761	180	182

Level: 3, プリカーサーm/z: 363.18207

Splash: splash10-001i-0090000000-9d241dd05a4d9c464659

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavanone	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
[Isoflavan]-A(1OH, 2OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol B
[Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 8,3'-dimethyl ether
[Flavonol]-A(2OH, 2OMe)-B(2OH)	Flavonol	3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
[Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none)	Flavanone	Isochamanetin
[Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none)	Flavanone	Chamanetin
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone
[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(2OH)	Flavonol	5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone
[Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Flavan 3-ol	3,7,8,3',4'-Pentahydroxy-5-methoxyflavan 3-O-acetate

ピーク情報

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MSnスペクトル情報

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