ピーク情報

ししとう果実生

pos

Peak #594 MN MID: SE115_S060931_M90

m/z: 543.13188, RT: 12.00, 強度: 44227, ログ強度: 1.06, 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	-0.616	1,3-beta-D-Oligoglucan	HMDB: HMDB0029922 KEGG: C03200, C00771, C07283
C18H32O16	504.16903	-0.616	Galactogen	KEGG: C01698
C18H32O16	504.16903	-0.616	1-Kestose	HMDB: HMDB0011729 KEGG: C03661 KNApSAcK: C00048937
C18H32O16	504.16903	-0.616	Panose	KNApSAcK: C00050489
C18H32O16	504.16903	-0.616	Maltotriose	HMDB: HMDB0246628 KNApSAcK: C00055979
C18H32O16	504.16903	-0.616	alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose	HMDB: HMDB0039704
C18H32O16	504.16903	-0.616	3-beta-Gentiobiosylglucose	HMDB: HMDB0039703
C18H32O16	504.16903	-0.616	O-alpha-D-Mannopyranosyl-(1-4)-O-alpha-D-mannopyranosyl-(1-4)-alpha-D-mannopyranose	HMDB: HMDB0247818
C18H32O16	504.16903	-0.616	beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose	HMDB: HMDB0038853
C18H32O16	504.16903	-0.616	Umbelliferose	HMDB: HMDB0033748 KEGG: C08251 KNApSAcK: C00001153
C18H32O16	504.16903	-0.616	Planteose	HMDB: HMDB0302793 KEGG: C03848 KNApSAcK: C00001144
C18H32O16	504.16903	-0.616	1,2-beta-Oligomannan	HMDB: HMDB0040984 KEGG: C21335, C21454
C18H32O16	504.16903	-0.616	Levan	HMDB: HMDB0003539
C18H32O16	504.16903	-0.616	Melezitose	HMDB: HMDB0011730 KEGG: C08243 KNApSAcK: C00001141
C18H32O16	504.16903	-0.616	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside	HMDB: HMDB0029930
C18H32O16	504.16903	-0.616	beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose	HMDB: HMDB0038851
C18H32O16	504.16903	-0.616	3-Galactosyllactose	HMDB: HMDB0006599, HMDB0039706, HMDB0246251
C18H32O16	504.16903	-0.616	Raffinose	HMDB: HMDB0003213, HMDB0034072 KEGG: C08239, C00492 KNApSAcK: C00001135, C00001145
C18H32O16	504.16903	-0.616	3-beta-Cellobiosylglucose	HMDB: HMDB0039708
C18H32O16	504.16903	-0.616	6-Kestose	HMDB: HMDB0033673
C18H32O16	504.16903	-0.616	6-alpha-Maltosylglucose	HMDB: HMDB0039707 KEGG: C03367, C04417
C18H32O16	504.16903	-0.616	Neokestose	HMDB: HMDB0029921
C18H32O16	504.16903	-0.616	1-alpha-D-[(1->4)-alpha-D-Glucosyl](n-1)-alpha-D-glucopyranoside	KEGG: C06400
C18H32O16	504.16903	-0.616	Manninotriose	HMDB: HMDB0041948, HMDB0247628 KNApSAcK: C00050475, C00051462
C18H32O16	504.16903	-0.616	Galactomannan	HMDB: HMDB0029929 KEGG: C00883
C18H32O16	504.16903	-0.616	Levan	HMDB: HMDB0254045 KEGG: C06215
C18H32O16	504.16903	-0.616	Polysaccharide	HMDB: HMDB0001262, HMDB0006857, HMDB0038852 KEGG: C00420, C01835, C01935, C01898, C06219, C17207
C18H32O16	504.16903	-0.616	Panose	HMDB: HMDB0029937 KEGG: C00713
C18H32O16	504.16903	-0.616	P(k) Trisaccharide	HMDB: HMDB0242554
C18H32O16	504.16903	-0.616	Isomaltotriose	HMDB: HMDB0029910, HMDB0060468 KEGG: C02160, C02493, C05404
C18H32O16	504.16903	-0.616	Fagopyritol B2	HMDB: HMDB0035322, HMDB0040181

MSnスペクトル情報

Level: 2, プリカーサーm/z: 543.13214

Splash: splash10-001i-0009000000-13e9dfab81f8cd7e12aa

m/z	Int.	NL	Rel.Int.
381.08	11788	162	1000
363.09	2157	180	182

Level: 3, プリカーサーm/z: 381.22913

Splash: splash10-0udi-0980200000-ecd1efb948cb65992050

m/z	Int.	NL	Rel.Int.
103.71	38	278	1000
220.63	19	161	507
200.92	18	180	464
414.22	10	-33	262

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(2OMe, 1(C-Prenyl))-B(1OH)	Coumestan	1-O-Methylglycyrol
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Glabrachromene I
[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	7-Methoxypraecansone B
[beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(none)-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	beta-Hydroxy(or Oxodihydro)chalcone	Praecanson A
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Ovalichromene A
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-Furano))	Flavanone	Abyssinoflavanone IV
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Isoglabrachromene
[Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Multijuginol
[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Muxiangrin II
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3,5-dimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OMe)	Flavonol	Vellokaempferol 3,4'-dimethyl ether
[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Predurmillone
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Robustic acid

Level: 3, プリカーサーm/z: 363.17523

Splash: splash10-0f6x-0060900000-69a621d656358652bb49

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	共有数
594	12.00	543.13188	0.0000	1.06	[M+K]+	(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...	ALL 31 KG 15 KN 3 HM 13	MS2 MS3 x 2	160
	12.06	522.20263	-20.9293	0.48	[M+CH3OH+H]+, [M+NH4]+	(2S)-3-[3-[(4-Carbamimidoylbenzoyl)amino]propanoylamino]-2-[(4-ethylphenyl)sulfonylamino]propanoic acid	ALL 1 HM 1		133
	12.00	505.17588	-37.9560	0.71	[M+H]+, [M-H2O+H]+	(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...	ALL 31 KG 15 KN 3 HM 13		160

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報

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