ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #5944 MN MID: SE205_S08_M90

m/z: 383.17020, RT: 54.62, 強度: 403003, ログ強度: 2.01, 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: 0.065

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	0.413	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	0.413	7alpha,8alpha-Dihydroxycalonectrin	HMDB: HMDB0038916 KNApSAcK: C00054511
C19H26O8	382.16277	0.413	(3alpha,4beta,7alpha)12,13-Epoxy-trichothec-9-ene-3,4,7,15-tetrol 4,15-diacetate	KNApSAcK: C00012636
C19H26O8	382.16277	0.413	Spathulin	KNApSAcK: C00021148
C19H26O8	382.16277	0.413	Cyclocalopin B	HMDB: HMDB0039811
C19H26O8	382.16277	0.413	Neosolaniol	HMDB: HMDB0255530 KNApSAcK: C00012613
C19H26O8	382.16277	0.413	Isoneosolaniol	HMDB: HMDB0035201 KNApSAcK: C00012639
C19H26O8	382.16277	0.413	Parritadial	KNApSAcK: C00041723
C19H26O8	382.16277	0.413	[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	0.413	Ibuprofen glucuronide	HMDB: HMDB0010343, HMDB0253334
C20H22O4N4	382.16411	-3.087	(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: 383.16977

Splash: splash10-014i-0091000000-be3b7a05b5d2a587db59

m/z	Int.	NL	Rel.Int.
266.99	32637	116	1000
365.03	3854	18	118

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: 266.99371

Splash: splash10-0f92-1940000000-c3663798433d7f9f072b

m/z	Int.	NL	Rel.Int.
249.01	10745	18	1000
104.88	7812	162	727
126.81	6368	140	592
108.90	3866	158	359
144.81	3546	122	329
122.92	3247	144	302
96.85	1602	170	149
230.95	1194	36	111
188.98	810	78	75
84.84	773	182	71
76.93	729	190	67
200.91	661	66	61

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: 365.03305

Splash: splash10-0002-0189000000-5293f64ae304c93e7b8a

m/z	Int.	NL	Rel.Int.
347.15	659	18	1000
248.92	382	116	580
364.81	135	0	205
224.66	96	140	145
213.09	90	152	137
185.22	74	180	112
329.54	64	35	96
217.17	59	148	90
246.93	42	118	64
230.43	40	135	60
126.99	39	238	58
237.12	38	128	57
291.41	35	74	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.065	[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

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	54.62	400.19693	17.0267	1.01	[M+NH4]+	(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...	ALL 10 KN 7 HM 3	MS2			1
5944	54.62	383.17020	0.0000	2.01	[M+H]+	(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...	ALL 10 KN 7 HM 3	MS2 MS3 x 2	0.038	0.065	1

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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