ピーク情報

にがうり果実生ゴーヤ

pos

Peak #549 MN MID: SE120_S062051_M90

m/z: 391.07210, RT: 12.24, 強度: 9814, ログ強度: 0.48, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (4 names) Penicilloic acid;Capillaridin A;(-)-Monorden E;Monorden E

DBごとのヒット数: ALL 3 KG 1 KN 2

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

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
C16H20O5N2S	352.10929	-1.008	Benzylpenicilloic acid	HMDB: HMDB0060617 KEGG: C16672
C24H16O3	352.10994	-2.859	Capillaridin A	KNApSAcK: C00049125
C18H21O5Cl	352.10775	3.368	(-)-Monorden E	KNApSAcK: C00014933

MSnスペクトル情報

Level: 2, プリカーサーm/z: 391.07205

Splash: splash10-0002-0942000000-de6d673dd298f5a8f1e6

m/z	Int.	NL	Rel.Int.
148.99	595	242	1000
373.33	175	18	293
167.00	126	224	212
279.24	116	112	195
226.03	113	165	190
214.81	63	176	105
245.14	61	146	102
314.49	55	77	91
204.97	53	186	88
191.17	51	200	85
199.11	34	192	56
251.07	31	140	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.077	[Flavone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavone	Kanzonol E
0.045	[Flavanone]-A(1OH, 2OMe)-B(3OMe)	Flavanone	5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone
0.037	[Flavonol]-A(2OH, 2OMe)-B(2OMe)	Flavonol	3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe)	Flavone	Gardenin E
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH, 2OMe)	Flavone	Scaposin
0.000	[Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe)	Flavone	Agecorynin D
0.000	[Flavonol]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavonol	3,5,3'-Trihydroxy-6,7,4',5'-tetramethoxyflavone
0.000	[Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavonol	3,5,4'-Trihydroxy-6,7,8,3'-tetramethoxyflavone
0.000	[Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavonol	3,5,3'-Trihydroxy-6,7,8,4'-tetramethoxyflavone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH)	2'-Hydroxychalcone	Lespeol
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Paratocarpin C
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Anthyllisone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Paratocarpin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([3,4,5:@@@]-(1,7,7-Trimethyl-2,6-dioxa-tricyclo[6.2.2.0(4,9)]dodecene)))-B(none)	2'-Hydroxychalcone	Rubranine
0.000	[Flavanone]-A(1OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinone III
0.000	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a5
0.000	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Dinklagin A
0.000	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	Flavanone	Shinflavanone
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Fulvinervin A
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavonol	5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Apuleitrin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	5,7,5'-Trihydroxy-3,6,2',4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavonol	5-O-Demethylapulein
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 3,7,8,4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Hibiscetin 3,8,3',4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavonol	5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH)	Flavonol	5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	5,7,4'-Trihydroxy-3,6,8,3'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	5,7,3'-Trihydroxy-3,6,8,4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH)	Flavonol	5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Hispaglabridin B
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(3OMe)-B(2OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Abruquinone B
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Folitenol
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Folinin
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Erybraedin D
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Erybraedin B
0.000	[Pterocarpene]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpene	Erycristagallin
0.000	[6,12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe)	6,12a-Hydroxyrotenone	Clitoriacetal
0.000	[4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Butyroyl)-B(none)	4-phenylcoumarin	6-Butyryl-5-hydroxy-4-phenylseselin
0.000	[4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Isobutyroyl)-B(none)	4-phenylcoumarin	Mesuagin

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