ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #5675 MN MID: SE205_S08_M90

m/z: 383.17004, RT: 53.31, 強度: 188607, ログ強度: 1.68, 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: (10 names) 7alpha,8alpha-Dihydroxycalonectrin;(3alpha,4beta,7alpha)12,13-Epoxy-trichothec-9-ene-3,4,7,15-tetrol 4,15-diacetate;Spathulin;Cyclocalopin B;Neosolaniol;4,8-Diacetyl-T2-tetrol;[5aR-(5aalpha,6alpha,8al...

DBごとのヒット数: ALL 10 KN 7 HM 3

FlavonoidSearch最大スコア MS2: 0.038, MS3: 0.038

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
C19H26O8	382.16277	-0.008	3-Methylbutanoic acid [(1S,7R)-6alpha-acetoxy-4-(acetoxymethyl)-4aalpha,5,6,7aalpha-tetrahydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]]-1alpha-yl ester	LipidMAPS: LMPR0102070055
C19H26O8	382.16277	-0.008	7alpha,8alpha-Dihydroxycalonectrin	HMDB: HMDB0038916 KNApSAcK: C00054511
C19H26O8	382.16277	-0.008	(3alpha,4beta,7alpha)12,13-Epoxy-trichothec-9-ene-3,4,7,15-tetrol 4,15-diacetate	KNApSAcK: C00012636
C19H26O8	382.16277	-0.008	Spathulin	KNApSAcK: C00021148
C19H26O8	382.16277	-0.008	Cyclocalopin B	HMDB: HMDB0039811
C19H26O8	382.16277	-0.008	Neosolaniol	HMDB: HMDB0255530 KNApSAcK: C00012613
C19H26O8	382.16277	-0.008	Isoneosolaniol	HMDB: HMDB0035201 KNApSAcK: C00012639
C19H26O8	382.16277	-0.008	Parritadial	KNApSAcK: C00041723
C19H26O8	382.16277	-0.008	[5aR-(5aalpha,6alpha,8alpha,9beta,9abeta,9balpha)]-8-(Acetyloxy)-3-[(acetyloxy)methyl]-5,5a,6,7,8,9,9a,9b-octahydro-6,9-dihydroxy-5a,9-dimethylnaphtho[1,2-b]furan-2(4H)-one	KNApSAcK: C00013085
C19H26O8	382.16277	-0.008	Ibuprofen glucuronide	HMDB: HMDB0010343, HMDB0253334
C20H22O4N4	382.16411	-3.508	(E)-4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-dipropyl-9H-purin-8-yl)cinnamic acid	HMDB: HMDB0249492

MSnスペクトル情報

Level: 2, プリカーサーm/z: 383.16992

Splash: splash10-014i-0091000000-cb533a7a01baa8978177

m/z	Int.	NL	Rel.Int.
267.05	14402	116	1000
365.00	1800	18	125

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.038	[Isoflavone]-A(1OH)-B(1OH, 2OMe, 1(C-Prenyl))	Isoflavone	Licoricone
0.038	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone
0.038	[Isoflavone]-A(2OH)-B(2OMe, 1(C-Prenyl))	Isoflavone	Piscerythrinetin
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavone	Artocarpetin B
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Pterocarpan	Desmodin
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH)-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artoindonesianin T
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin K
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)-C(1(O-Acetyl))	Dihydroflavonol	6-Prenylpinobanksin 3-O-acetate
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	Velloquercetin 4'-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavonol	Velloquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavonol	Sarothranol
0.000	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neoraucarpanol
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautanin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Hildecarpidin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Hydroxypachyrrhizone
0.000	[12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-Furano))-B(2OMe)	12a-Hydroxyrotenone	Neobanone
0.000	[Coumaranochromon]-A(2OH)-B(2OH, 1(C-Prenyl))	Coumaranochromon	Lisetin
0.000	[3-Phenylcoumarin]-A(2OMe, 1(C-Prenyl))-B(2OH)	3-Phenylcoumarin	Glycyrin

Level: 3, プリカーサーm/z: 267.04880

Splash: splash10-0f92-1940000000-4bf0062196db311a6df3

m/z	Int.	NL	Rel.Int.
248.98	2033	18	1000
104.92	1714	162	843
126.92	1521	140	748
144.84	765	122	376
122.98	691	144	339
108.93	614	158	301
96.81	487	170	239
231.06	347	36	170
76.88	202	190	99
84.97	155	182	76

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2-substituted Isoflavone (2-Methyl)]-A(1OMe)-B(none)	2-substituted Isoflavone	7-Methoxy-2-methylisoflavone

Level: 3, プリカーサーm/z: 365.00201

Splash: splash10-0002-0092000000-050482ec571e4c58ec5f

m/z	Int.	NL	Rel.Int.
249.25	432	116	1000
347.18	263	18	608
215.30	208	150	480
248.61	183	116	422
220.95	98	144	227
197.02	55	168	126

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.038	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	Alpinumisoflavone dimethyl ether
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavone	Carpachromene dimethyl ether
0.000	[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Coumestan	Gancaonin F
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Robustone
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
0.000	[Dehydrorotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydropachyrrhizone