ピーク情報

リーフレタスグリーン

pos

Peak #893 MN MID: SE198_S12_M90

m/z: 522.20292, RT: 13.51, 強度: 572232, ログ強度: 2.26, アダクト: [M+NH4]+, [M+CH3OH+H]+, 共有数（同様のピークを含むサンプル数）: 7

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: 0.091

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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	0.115	1,3-beta-D-Oligoglucan	HMDB: HMDB0029922 KEGG: C03200, C00771, C07283
C18H32O16	504.16903	0.115	Galactogen	KEGG: C01698
C18H32O16	504.16903	0.115	1-Kestose	HMDB: HMDB0011729 KEGG: C03661 KNApSAcK: C00048937
C18H32O16	504.16903	0.115	Panose	KNApSAcK: C00050489
C18H32O16	504.16903	0.115	Maltotriose	HMDB: HMDB0246628 KNApSAcK: C00055979
C18H32O16	504.16903	0.115	alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose	HMDB: HMDB0039704
C18H32O16	504.16903	0.115	3-beta-Gentiobiosylglucose	HMDB: HMDB0039703
C18H32O16	504.16903	0.115	O-alpha-D-Mannopyranosyl-(1-4)-O-alpha-D-mannopyranosyl-(1-4)-alpha-D-mannopyranose	HMDB: HMDB0247818
C18H32O16	504.16903	0.115	beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose	HMDB: HMDB0038853
C18H32O16	504.16903	0.115	Umbelliferose	HMDB: HMDB0033748 KEGG: C08251 KNApSAcK: C00001153
C18H32O16	504.16903	0.115	Planteose	HMDB: HMDB0302793 KEGG: C03848 KNApSAcK: C00001144
C18H32O16	504.16903	0.115	1,2-beta-Oligomannan	HMDB: HMDB0040984 KEGG: C21335, C21454
C18H32O16	504.16903	0.115	Levan	HMDB: HMDB0003539
C18H32O16	504.16903	0.115	Melezitose	HMDB: HMDB0011730 KEGG: C08243 KNApSAcK: C00001141
C18H32O16	504.16903	0.115	beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside	HMDB: HMDB0029930
C18H32O16	504.16903	0.115	beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose	HMDB: HMDB0038851
C18H32O16	504.16903	0.115	3-Galactosyllactose	HMDB: HMDB0006599, HMDB0039706, HMDB0246251
C18H32O16	504.16903	0.115	Raffinose	HMDB: HMDB0003213, HMDB0034072 KEGG: C08239, C00492 KNApSAcK: C00001135, C00001145
C18H32O16	504.16903	0.115	3-beta-Cellobiosylglucose	HMDB: HMDB0039708
C18H32O16	504.16903	0.115	6-Kestose	HMDB: HMDB0033673
C18H32O16	504.16903	0.115	6-alpha-Maltosylglucose	HMDB: HMDB0039707 KEGG: C03367, C04417
C18H32O16	504.16903	0.115	Neokestose	HMDB: HMDB0029921
C18H32O16	504.16903	0.115	1-alpha-D-[(1->4)-alpha-D-Glucosyl](n-1)-alpha-D-glucopyranoside	KEGG: C06400
C18H32O16	504.16903	0.115	Manninotriose	HMDB: HMDB0041948, HMDB0247628 KNApSAcK: C00050475, C00051462
C18H32O16	504.16903	0.115	Galactomannan	HMDB: HMDB0029929 KEGG: C00883
C18H32O16	504.16903	0.115	Levan	HMDB: HMDB0254045 KEGG: C06215
C18H32O16	504.16903	0.115	Polysaccharide	HMDB: HMDB0001262, HMDB0006857, HMDB0038852 KEGG: C00420, C01835, C01935, C01898, C06219, C17207
C18H32O16	504.16903	0.115	Panose	HMDB: HMDB0029937 KEGG: C00713
C18H32O16	504.16903	0.115	P(k) Trisaccharide	HMDB: HMDB0242554
C18H32O16	504.16903	0.115	Isomaltotriose	HMDB: HMDB0029910, HMDB0060468 KEGG: C02160, C02493, C05404
C18H32O16	504.16903	0.115	Fagopyritol B2	HMDB: HMDB0035322, HMDB0040181

MSnスペクトル情報

Level: 2, プリカーサーm/z: 522.20239

Splash: splash10-00dl-0009100000-aae87f4ce9981aab2596

m/z	Int.	NL	Rel.Int.
324.92	2187	197	1000
342.88	1069	179	488
486.77	438	35	200
288.85	383	233	175
504.53	327	18	149
342.27	291	180	133
307.01	132	215	60

Level: 3, プリカーサーm/z: 324.96564

Splash: splash10-000i-0190000000-dbaf16a0b14e865a56e0

m/z	Int.	NL	Rel.Int.
288.75	128	36	1000
270.99	29	54	228
163.02	20	162	158
306.97	13	18	104
253.00	12	72	92
144.83	8	180	65
259.00	8	66	64

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.050	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.050	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.050	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.050	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.043	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.043	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.043	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.043	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.043	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.000	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Chalcone	Crotmadine
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin E
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dorsmanin A
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none)	Dihydrochalcone	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
0.000	[Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
0.000	[Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe)	Isoflavanone	Neoraunone
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavan	Crotmarine
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Glabridin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Phaseollinisoflavan
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe)	Pterocarpan	Ambonane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Neobanol

関連ピーク情報

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	FS3	N原子数	S原子数	共有数
	13.47	543.13210	20.9292	2.65	[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		N 0	S 0	9
	13.06	525.12202	2.9191	1.12	[M-H2O+K]+, [M+K]+	(33 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 32 KG 15 KN 3 HM 14	MS2		N 0	S 0	12
893	13.51	522.20292	0.0000	2.26	[M+NH4]+, [M+CH3OH+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	MS2 MS3	0.091	N 0	S 0	7
	13.06	505.17645	-17.0265	1.08	[M+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			N 0	S 0	9
	13.13	504.19240	-18.0105	1.22	[M+CH3OH-H2O+H]+, [M+NH4]+	(2S)-3-[3-[(4-Carbamimidoylbenzoyl)amino]propanoylamino]-2-[(4-ethylphenyl)sulfonylamino]propanoic acid	ALL 1 HM 1	MS2		N 0	S 0	17
	13.05	487.16570	-35.0372	1.29	[M-H2O+H]+, [M+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			N 0	S 0	9