ピーク情報

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Peak #8890 MN MID: SE205_S02_M90

m/z: 549.37908, RT: 79.72, 強度: 21863, ログ強度: 0.82, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: 24-dimethoxy-3beta,6beta,19alpha-trihydroxyurs-12-en-28-oic acid

DBごとのヒット数: ALL 1 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.077

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
C32H52O7	548.37130	0.904	24-dimethoxy-3beta,6beta,19alpha-trihydroxyurs-12-en-28-oic acid	LipidMAPS: LMPR0106180020

MSnスペクトル情報

Level: 2, プリカーサーm/z: 549.37891

Splash: splash10-056r-0010900000-da6964963361e812b4eb

m/z	Int.	NL	Rel.Int.
427.32	1442	122	1000
409.42	829	140	574
445.21	703	104	487
269.23	300	280	208
251.25	291	298	202
531.34	144	18	100

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(2OH)	2'-Hydroxychalcone	3,4-Dihydroxyrottlerin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none)	Flavone	Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none)	Flavone	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
[Flavone]-A(1OH, 1OMe, 2(C-Arabinosyl))-B(1OH)	Flavone	Almeidein
[4-substituted Flavan (4-(1-dodecanoyl-2,4,6-trihydroxyphenyl))]-A(1OH)-B(1OH)	4-substituted Flavan	Myristinin A

Level: 3, プリカーサーm/z: 427.22260

Splash: splash10-0a4i-0030900000-4e42a69b2e35c59c2ac0

m/z	Int.	NL	Rel.Int.
409.39	295	18	1000
251.22	51	176	172
269.29	42	158	141
253.05	31	174	105
391.31	28	36	93
147.33	26	280	88

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
[Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl))	Flavan 3-ol	Afzelechin 3-O-gallate
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl))	Flavan 3-ol	Gallocatechin 3-O-p-hydroxybenzoate
[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Dihydrochalcone	2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone
[Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH)	Dihydrochalcone	3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone
[Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH)	Dihydrochalcone	4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone
[Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Dihydrochalcone beta-ol	Ponganone VIII
[Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none)	Flavanone	Tephrorin A
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH)	Flavanone	Kushenol T
[Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin E
[Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavan	Broussoflavan A
[6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxyrotenone	Villosin
[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	Dalbinol
[12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	Villosinol
[12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	11-Hydroxytephrosin

Level: 3, プリカーサーm/z: 409.28210

Splash: splash10-0udi-0295000000-bf5ea626062708ed3b5b

m/z	Int.	NL	Rel.Int.
251.26	117	158	1000
252.19	40	157	338
391.35	35	18	295
363.41	30	46	253
353.30	18	56	157
253.35	17	156	147
373.21	15	36	130
155.19	13	254	111
291.24	10	118	82
131.06	9	278	79
157.32	9	252	77
182.98	8	226	65
305.47	7	104	58
142.98	6	266	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.150	[Dihydroflavonol]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Dihydroflavonol	3-Hydroxyglabrol
0.077	[Flavanone]-A(2OH)-B(1OH, 2(C-Prenyl))	Flavanone	Abyssinone V
0.077	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH)	Flavanone	6,8-Diprenylnaringenin
0.077	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavanone	Euchrestaflavanone A
0.077	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavanone	Macarangaflavanone B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Paratocarpin D
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Paratocarpin E
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Bartericin A
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Bartericin D
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Anthyllin
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	2'-Hydroxychalcone	Bartericin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Bartericin B
0.000	[2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	3'-Geranyl-3,4,2',4'-tetrahydroxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH)-B(2OH, 1Geranyl)	2'-Hydroxychalcone	Kuwanol D
0.000	[2'-Hydroxychalcone]-A(2OH, 1Lavandulyl)-B(2OH)	2'-Hydroxychalcone	Ammothamnidin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Cedrediprenone
0.000	[2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	3'-Geranylchalconaringenin
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin A
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Dihydrochalcone	4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Methyllinderatin
0.000	[Flavanone]-A(1OH, 1Lavandulyl)-B(2OH)	Flavanone	Lehmannin
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH)	Flavanone	Kushenol A
0.000	[Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(1OH)	Flavanone	Remangiflavanone A
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(1OH)	Flavanone	Bonannione A
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(1OH)	Flavanone	Sophoraflavanone A
0.000	[Flavanone]-A(2OH)-B(1OH, 1Geranyl)	Flavanone	Macarangaflavanone A
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH)	Flavanone	Leachianone E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Paratocarpin J
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Euchrenone a16
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(1OH, 1OMe)	Flavone	Torosaflavone C
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(none)	Dihydroflavonol	6-Geranylpinobanksin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Formyl-2-hydroxyphenyl))	Dihydroflavonol	3'-(5''-formyl-2''-hydroxyphenyl)aromadendrin
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone
0.000	[Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH)	Flavonol	8-p-Hydroxybenzylquercetin
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ferrugone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ichthynone
0.000	[Isoflavone]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	5-Methoxydurmillone
0.000	[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Pterocarpan-6a-ol	2-Prenyl-6a-hydroxyphaseollidin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydroamorphigenin
0.000	[Dehydrorotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Dehydrorotenone	Villosol
0.000	[Dehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Dehydrorotenone	Dehydrotoxicarol
0.000	[6-Hydroxydehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxydehydrorotenone	Amorpholone
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Robustin methyl ether
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Isorobustin 4-methyl ether
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy))	4-Hydroxy-3-phenylcoumarin	Glabrescin
0.000	[4-Hydroxy-3-phenylcoumarin]-A(2OMe, 1([2,3:@@]-(5-Isopropenylfurano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Thonningine B
0.000	[4-phenylcoumarin]-A(1OH, 1Isobutyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
0.000	[4-phenylcoumarin]-A(1OH, 1Butyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one