ピーク情報

トマト Micro-Tom 花

pos

Peak #11392 MN MID: SE203_S31_M90

m/z: 625.25452, RT: 64.40, 強度: 35044, ログ強度: 0.89, 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	0.129	Cannabisin D	KEGG: C17908 KNApSAcK: C00000664
C36H36O8N2	624.24717	0.129	Heliotropamide	KNApSAcK: C00044800
C36H36O8N2	624.24717	0.129	(+-)-Grossamide	HMDB: HMDB0040370 KNApSAcK: C00000665
C36H36O8N2	624.24717	0.129	Cannabisin F	KEGG: C17910 KNApSAcK: C00000669
C36H36O8N2	624.24717	0.129	Cannabisin G	KEGG: C17911 KNApSAcK: C00045320

MSnスペクトル情報

Level: 2, プリカーサーm/z: 625.25409

Splash: splash10-03fr-0006900000-c72471f5271792410e94

m/z	Int.	NL	Rel.Int.
462.23	22677	163	1000
325.16	14471	300	638
463.24	4844	162	213
326.18	2695	299	118
351.21	2577	274	113
488.12	1938	137	85
299.14	1422	326	62
307.19	1413	318	62

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: 462.28198

Splash: splash10-004i-0009000000-adde340c3a88a9f8729a

m/z	Int.	NL	Rel.Int.
325.14	16514	137	1000
307.16	2009	155	121
293.14	883	169	53

Level: 3, プリカーサーm/z: 325.18665

Splash: splash10-0a4i-0069000000-21294369ed65a1b13eb6

m/z	Int.	NL	Rel.Int.
307.16	4919	18	1000
293.18	2331	32	473
265.22	475	60	96
297.22	464	28	94
201.08	344	124	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