ピーク情報

トマト Micro-Tom 成熟果実の果皮

pos

Peak #2519 MN MID: SE203_S11_M90

m/z: 401.04789, RT: 32.31, 強度: 6471, ログ強度: 0.24, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: 5-(5-Iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.214

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
C14H17O2N4I	400.03962	2.482	5-(5-Iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine	HMDB: HMDB0247533

MSnスペクトル情報

Level: 2, プリカーサーm/z: 401.04785

Splash: splash10-0a4i-0019000000-708816e47e96c94853ce

m/z	Int.	NL	Rel.Int.
357.14	2294	44	1000
238.15	410	163	178

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone
[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Isotirumalin
[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Scariosin
[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Tirumalin
[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone E
[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(4-Formyl-5-(p-Hydroxyphenyl)furano)))	2'-Hydroxychalcone	Lophirone D
[Flavanone]-A(1OMe)-B(1([2,3:@@]-(5-(p-Methoxyphenyl)furano)))	Flavanone	Lophirone J
[Flavone]-A(2OH, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Torosaflavone A
[Flavone]-A(2OH, 1(C-(beta-D-Oliosyl))-B(1OH)	Flavone	6-C-beta-D-Oliopyranosylapigenin
[Flavone]-A(2OH, 1(C-(beta-D-Boivinosyl))-B(1OH)	Flavone	6-C-beta-D-Boivinopyranosylapigenin
[Flavone]-A(2OH, 1(C-(beta-D-Epioliosyl))-B(1OH)	Flavone	6-C-beta-D-Epioliosylapigenin
[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Angeloyl))	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-angelate
[Flavonol]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Flavonol	8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone
[Flavonol]-A(2OH, 1(3-methylsuccinoyl))-B(1OH)	Flavonol	3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe)	Flavonol	Brevicornin
[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone
[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavonol	3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone
[Isoflavanone-3-ol]-A(2OH)-B(2OMe, 1(C-Prenyl))	Isoflavanone-3-ol	Echinoisoflavanone
[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(2,3-Dihydroxy-3-methylbutyl))	Coumestan	Mirificoumestan glycol

Level: 3, プリカーサーm/z: 357.08444

Splash: splash10-0006-0094000000-b8418883540e3d3cacf9

m/z	Int.	NL	Rel.Int.
243.00	29	114	1000
312.57	7	45	231
315.19	5	42	186
277.06	5	80	158
339.15	4	18	122

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.214	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Dihydroflavonol	Shuterin
0.214	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Dihydroflavonol	8-prenylaromadendrin
0.214	[Dihydroflavonol]-A(2OH)-B(1OH, 1(C-Prenyl))	Dihydroflavonol	3'-prenylaromadendrin
0.188	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavanone	6-Prenyleriodictyol
0.188	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavanone	8-Prenyleriodictyol
0.188	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavanone	Leachianone G
0.188	[Flavanone]-A(3OH)-B(1OH, 1(C-Prenyl))	Flavanone	Flowerone
0.188	[Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavanone	Sigmoidin B
0.188	[Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavanone	2'-Prenyleriodictyol
0.188	[Flavanone]-A(3OH, 1(C-Prenyl))-B(1OH)	Flavanone	8-Prenylcarthamidin
0.158	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(3OH)	2'-Hydroxychalcone	Ramosismin
0.118	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	Kievitone
0.118	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	Diphysolone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	2'-Hydroxychalcone	Brosimacutin G
0.000	[Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(4-hydroxy-6,6-Dimethyldihydropyrano)))-B(none)	Dihydrochalcone	2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	Dihydrochalcone	2',4',5''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	Dihydrochalcone	alpha,beta-Dihydroxanthohumol
0.000	[Dihydrochalcone]-A(3OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone
0.000	[Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))-B(none)	Flavanone	Tephrowatsin C
0.000	[Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavanone	Tomentosanol D
0.000	[Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Phellodensin D
0.000	[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(2OH)	Flavanone	6-(1,1-Dimethylallyl)eriodictyol
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	Flavanone	Kenusanone J
0.000	[Flavone]-A(1OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavone	Brosimacutin F
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavone	Laurifolin (flavonoid)
0.000	[Flavone]-A(2OH, 1(2-Carboxyvinyl))-B(2OH)	Flavone	Demethyltorosaflavone D
0.000	[Flavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone
0.000	[Flavone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Flavone	Ageconyflavone A
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	Kanugin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavonol	Kalmiatin
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Isokanugin
0.000	[Flavan 3-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3-ol	8-Prenylafzelechin 5-methyl ether
0.000	[Flavan 4-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 4-ol	4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan
0.000	[Flavan]-A(2OMe, 1(3-hydroxy-3-methylbutyl))-B(none)	Flavan	Nitenin
0.000	[Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone
0.000	[Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Milldurone
0.000	[Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone
0.000	[Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Petalostetin
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Hemerocallone
0.000	[Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Odoratine
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Iriskumaonin methyl ether
0.000	[Isoflavanone]-A(1OH, 1((Z)-4-hydroxyprenyl))-B(2OH)	Isoflavanone	7,2',4'-Trihydroxy-8-((Z)-4-hydroxyprenyl)isoflavanone
0.000	[Isoflavan]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavan	alpha,alpha-dimethylallylcyclolobin
0.000	[Coumestan]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Coumestan	2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
0.000	[6-Hydroxydehydrorotenone]-A(3OH)-B(none)-C(1(O-Acetyl))	6-Hydroxydehydrorotenone	6,9,10,11-Tetrahydroxydehydrorotenone 6-O-acetate
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy))	4-Hydroxy-3-phenylcoumarin	Derrusnin