ピーク情報

ぎんなん生

pos

Peak #2451 MN MID: SE122_S050081_M90

m/z: 389.14431, RT: 36.04, 強度: 7326, ログ強度: 0.42, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 25

DB検索結果: (16 names) Geniposide;Arborescoside;Apodantheroside;Majoroside;Secologanin;Swertiajaposide A;(-)-Swertiajaposide A;Gardoside methyl ester;10-Acetylaucubin;Vogeloside;Verbenalin;Dehydrologanin;Ketologanin;Syringo...

DBごとのヒット数: ALL 14 KG 4 KN 9 HM 1

FlavonoidSearch最大スコア MS2: 0.077, 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
C17H24O10	388.13695	0.219	Geniposide	HMDB: HMDB0252679 KEGG: C09781 KNApSAcK: C00000320 LipidMAPS: LMPR0102070058
C17H24O10	388.13695	0.219	Arborescoside	KNApSAcK: C00036740
C17H24O10	388.13695	0.219	Apodantheroside	KNApSAcK: C00010628
C17H24O10	388.13695	0.219	Majoroside	KNApSAcK: C00037464
C17H24O10	388.13695	0.219	Secologanin	HMDB: HMDB0304482 KEGG: C01852 KNApSAcK: C00003098 LipidMAPS: LMPR0102070002
C17H24O10	388.13695	0.219	Swertiajaposide A	KNApSAcK: C00031399
C17H24O10	388.13695	0.219	Gardoside methyl ester	KNApSAcK: C00036118
C17H24O10	388.13695	0.219	10-Acetylaucubin	KNApSAcK: C00036396
C17H24O10	388.13695	0.219	Vogeloside	KNApSAcK: C00010800, C00037112
C17H24O10	388.13695	0.219	Verbenalin	HMDB: HMDB0301853 KEGG: C09802 KNApSAcK: C00003102 LipidMAPS: LMPR0102070016
C17H24O10	388.13695	0.219	Dehydrologanin	KNApSAcK: C00010605
C17H24O10	388.13695	0.219	Syringoxide	KNApSAcK: C00010703
C18H20O6N4	388.13828	-3.227	N5-Dinitrophenyl-L-ornithine methyl ester	KEGG: C04541
C18H20O6N4	388.13828	-3.227	Methyl N-[6-[(3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate	HMDB: HMDB0250002

MSnスペクトル情報

Level: 2, プリカーサーm/z: 389.14343

Splash: splash10-004i-0900000000-50dec2f500dcacbc3bef

m/z	Int.	NL	Rel.Int.
179.06	4045	210	1000
196.94	1792	192	443
371.08	749	18	185
160.95	703	228	173
132.99	677	256	167

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.077	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Chalcone	Flemiculosin
0.067	[Chalcone]-A(3OMe)-B(3OMe)	Chalcone	2,3,4,2',4',6'-Hexamethoxychalcone
0.059	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Paratocarpin A
0.059	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Xambioona
0.050	[Flavonol]-A(3OMe)-B(2OMe)	Flavonol	Quercetagetin 5,6,7,3',4'-pentamethyl ether
0.000	[Flavone]-A(1OMe, 2(C-Prenyl))-B(none)	Flavone	5-Methoxy-7,8-diprenylflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(4OMe)	Flavone	5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone
0.000	[Flavone]-A(3OMe)-B(1OH, 2OMe)	Flavone	Ageconyflavone C
0.000	[Flavone]-A(1OH, 2OMe)-B(3OMe)	Flavone	Umuhengerin
0.000	[Flavone]-A(1OH, 2OMe)-B(3OMe)	Flavone	Agehoustin G
0.000	[Flavone]-A(1OH, 2OMe)-B(3OMe)	Flavone	Serpyllin
0.000	[Flavone]-A(4OMe)-B(1OH, 1OMe)	Flavone	3'-Hydroxy-5,6,7,8,4'-pentamethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(2OMe)	Flavone	Demethylnobiletin
0.000	[Flavonol]-A(2OMe)-B(3OMe)	Flavonol	3-Hydroxy-5,7,3',4',5'-pentamethoxyflavone
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Dihydrochalcone	Calomelanol D-1
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none)	Flavanone	Spinoflavanone A
0.000	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavanone	Sigmoidin G
0.000	[Flavanone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	Agecorynin A
0.000	[Flavone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Kanzonol E
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe)	Flavonol	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(3OMe)	Flavonol	Combretol
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe)	Flavonol	5'-hydroxy-3,5,7,2',4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe)	Flavonol	2'-Hydroxy-3,5,7,4',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,7,2',4',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Grantiodin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Quercetagetin 3,5,6,3',4'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,5,6,7,3'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Artemetin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH, 1OMe)	Flavonol	8-C-Methylquercetagetin 3,6,7,3'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH, 1OMe)	Flavonol	8-C-Methylquercetagetin 3,6,7,4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OH, 1OMe)	Flavonol	Gossypetin 3,5,7,8,3'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Gossypetin 3,5,8,3',4'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Gossypetin 3,7,8,3',4'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,7,8,2',4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OMe)	Flavonol	Emmaosunin
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OMe)	Flavonol	5-Hydroxyauranetin
0.000	[Flavonol]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))	Pterocarpan-6a-ol	Sphenostylin C

Level: 3, プリカーサーm/z: 179.06189

Splash: splash10-03e9-0900000000-c5f2228b6d7c64cb18e4

m/z	Int.	NL	Rel.Int.
161.01	1380	18	1000
132.96	1166	46	845
151.09	130	28	94
149.09	76	30	55

Level: 3, プリカーサーm/z: 196.94023

Splash: splash10-004i-0900000000-c6a4600c56e10e6ef3d5

m/z	Int.	NL	Rel.Int.
179.03	488	18	1000
169.07	128	28	262
167.13	90	30	183
151.00	70	46	143