ピーク情報

細ネギ（若香）地下部

pos

Peak #6927 MN MID: SE201_S21_M90

m/z: 625.25377, RT: 63.89, 強度: 81380, ログ強度: 1.33, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (6 names) Cannabisin D;Heliotropamide;(+)-Heliotropamide;Grossamide;Cannabisin F;Hyoscyamide

DBごとのヒット数: ALL 5 KG 3 KN 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.100

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
C36H36O8N2	624.24717	-1.085	Cannabisin D	KEGG: C17908 KNApSAcK: C00000664
C36H36O8N2	624.24717	-1.085	Heliotropamide	KNApSAcK: C00044800
C36H36O8N2	624.24717	-1.085	(+-)-Grossamide	HMDB: HMDB0040370 KNApSAcK: C00000665
C36H36O8N2	624.24717	-1.085	Cannabisin F	KEGG: C17910 KNApSAcK: C00000669
C36H36O8N2	624.24717	-1.085	Cannabisin G	KEGG: C17911 KNApSAcK: C00045320

MSnスペクトル情報

Level: 2, プリカーサーm/z: 625.25391

Splash: splash10-03fr-0007900000-9ed230d2ae2d48b4add4

m/z	Int.	NL	Rel.Int.
462.25	59206	163	1000
325.16	42174	300	712
351.22	8582	274	144
307.15	5808	318	98
488.07	5115	137	86

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe)	Flavone	Stellarin 2
[Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe)	Flavone	6,8-Di-C-glucopyranosyldiosmetin
[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-ferulate
[Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH)	Flavone	2''-O-Feruloylorientin
[Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH)	Flavone	Orientin 6''-O-ferulate
[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	3-substituted Flavone	3,8-Di-C-glucopyranosyldiosmetin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6-C-Glucopyranosyl-8-C-arabinopyranosyltricin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6-C-Arabinopyranosyl-8-C-glucopyranosyltricin

Level: 3, プリカーサーm/z: 462.21460

Splash: splash10-004i-0009000000-e910aebfc5dec6539a88

m/z	Int.	NL	Rel.Int.
325.15	45800	137	1000
307.15	5304	155	115
293.19	2824	169	61

Level: 3, プリカーサーm/z: 325.15814

Splash: splash10-0a4i-0069000000-b306d0ba17536443301f

m/z	Int.	NL	Rel.Int.
307.17	16539	18	1000
293.20	8175	32	494
297.11	1640	28	99
201.09	1171	124	70
265.19	1154	60	69

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.100	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.100	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.100	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.100	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.100	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.067	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.067	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.067	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.056	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.056	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.056	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.056	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
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