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Peak #4003 MN MID: SE205_S02_M90

m/z: 393.17553, RT: 41.75, 強度: 45587, ログ強度: 1.14, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: 2-[1-[(2S)-2-[[4-[(E)-N'-Hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: 0.100, MS3: 0.158

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
C18H24O6N4	392.16958	-3.391	2-[1-[(2S)-2-[[4-[(E)-N'-Hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid	HMDB: HMDB0257278

MSnスペクトル情報

Level: 2, プリカーサーm/z: 393.17535

Splash: splash10-004i-0119000000-eb432ddbf76887e55ddc

m/z	Int.	NL	Rel.Int.
375.09	1863	18	1000
307.26	511	86	274
190.99	450	202	241
349.21	343	44	184
357.13	252	36	135
289.06	167	104	89
221.12	163	172	87
248.98	150	144	80
331.24	147	62	78
376.19	141	17	75
193.09	138	200	74

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	Ficifolinol
0.100	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erythrabyssin II
0.100	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin C
0.100	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin A
0.087	[Flavanone]-A(2OH, 2(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6,8-di-C-prenylflavanone
0.037	[Flavanone]-A(1OH, 2(C-Prenyl))-B(1OH)	Flavanone	7,4'-Dihydroxy-6,8-di-C-prenylflavanone
0.037	[2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4,2',4'-Trihydroxy-3',5'-diprenylchalcone
0.037	[Flavanone]-A(1OH)-B(1OH, 2(C-Prenyl))	Flavanone	7,4'-Dihydroxy-3',5'-di-C-prenylflavanone
0.037	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 2(C-Prenyl))	2'-Hydroxychalcone	Abyssinone VI
0.037	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Kanzonol C
0.037	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Stipulin
0.037	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavanone	7,4'-Dihydroxy-8,3'-di-C-prenylflavanone
0.000	[2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	Xanthoangelol
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	2'-Hydroxychalcone	Artoindonesianin J
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	2'-Hydroxychalcone	Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	Flemiwallichin E
0.000	[2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(none)	2'-Hydroxychalcone	3'-Geranyl-2',4',6'-trihydroxychalcone
0.000	[2'-Hydroxychalcone]-A(3OH, 1Neryl)-B(none)	2'-Hydroxychalcone	3'-Neryl-2',4',6'-trihydroxychalcone
0.000	[2'-Hydroxychalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	2'-Hydroxychalcone	Linderachalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1Br)-B(1OMe)	2'-Hydroxychalcone	3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1Methyl)-B(none)	Dihydrochalcone	Anguvetin
0.000	[Flavanone]-A(1OH, 1Geranyl)-B(1OH)	Flavanone	Prostratol F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Euchrenone a17
0.000	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Dorsmanin B
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(none)	Flavanone	5,7-Dihydroxy-8-C-geranylflavanone
0.000	[Flavanone]-A(2OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Flavanone	Linderatone
0.000	[Flavone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Semiglabrin
0.000	[Flavone]-A(1OH, 1OMe, 1(5-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none)	Flavone	Hosloppin
0.000	[Flavone]-A(2OMe, 1(2,5-Dihydro-5,5-dimethyl-2-oxo-3-furanyl))-B(none)	Flavone	Hookerianin
0.000	[Flavone]-A(1OMe, 1([5,4:@@]-(2,2-Dimethyldihydro-3-oxofuro[2,3-c]pyrano)))-B(none)	Flavone	Stachyoidin
0.000	[Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH)	Flavonol	8-C-p-Hydroxybenzylkaempferol
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OH)	Flavonol	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
0.000	[Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavan	Kazinol B
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl))	Isoflavan	Hispaglabridin A
0.000	[6a-substituted Pterocarpan (6a-C-Prenyl)]-A(1OH)-B(1OH, 1(C-Prenyl))	6a-substituted Pterocarpan	Lespein
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1Geranyl)	Pterocarpan	Lespedezin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydrorotenone
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Dehydrorotenone	Dehydrodeguelin,7a,13a-Didehydrodeguelin
0.000	[4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Butyroyl)-B(none)	4-phenylcoumarin	6-Butyryl-5,7-dihydroxy-8-prenyl-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isobutyroyl)-B(none)	4-phenylcoumarin	Mesuol

Level: 3, プリカーサーm/z: 307.18463

Splash: splash10-0006-0930000000-b0049e86ef3a05ef3b8b

m/z	Int.	NL	Rel.Int.
191.00	339	116	1000
289.19	124	18	366

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
0.071	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
0.000	[Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Aurone	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
0.000	[Flavan 3,4-diol]-A(1OH)-B(3OH)	Flavan 3,4-diol	3,4,7,3',4',5'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	3,4,7,8,3',4'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	Catechin-4-ol
0.000	[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpene	Neoduleen

Level: 3, プリカーサーm/z: 375.12711

Splash: splash10-0a4j-0019000000-9171179fc771c4a5c840

m/z	Int.	NL	Rel.Int.
307.18	115	68	1000
347.25	102	28	883
357.13	96	18	831
289.17	52	86	453
331.13	48	44	421
343.39	24	32	205
191.09	22	184	188
358.05	14	17	123
195.14	14	180	122
199.10	14	176	120
329.45	14	46	118
221.07	12	154	106
311.25	12	64	104
333.27	11	42	91
359.88	10	15	86
287.39	10	88	84
346.00	9	29	80
319.03	9	56	79
313.04	9	62	75
263.17	8	112	67

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Isoflavone]-A(2OH, 1OMe)-B(3OMe)	Isoflavone	Junipegenin C
0.250	[Isoflavone]-A(2OH, 1OMe)-B(3OMe)	Isoflavone	Caviunin
0.250	[Isoflavone]-A(2OH, 1OMe)-B(3OMe)	Isoflavone	Isocaviunin
0.250	[Isoflavone]-A(1OH, 3OMe)-B(1OH, 1OMe)	Isoflavone	5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone
0.200	[Flavonol]-A(1OH, 1OMe)-B(3OMe)	Flavonol	3,5-Dihydroxy-7,3',4',5'-tetramethoxyflavone
0.161	[Flavonol]-A(1OH, 3OMe)-B(1OMe)	Flavonol	Eriostemin
0.161	[Flavonol]-A(1OH, 3OMe)-B(1OMe)	Flavonol	3,5-Dihydroxy-6,7,8,4'-tetramethoxyflavone
0.161	[Flavonol]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Quercetagetin 6,7,3'4'-tetramethyl ether
0.161	[Flavonol]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Gossypetin 7,8,3',4'-tetramethyl ether
0.161	[Flavonol]-A(3OMe)-B(1OH, 1OMe)	Flavonol	Eupatoretin
0.107	[Flavanone]-A(2OMe)-B(3OMe)	Flavanone	5,7,2',3',4'-Pentamethoxyflavanone
0.074	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OMe)	2'-Hydroxychalcone	6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone
0.074	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OMe)	2'-Hydroxychalcone	2'-Hydroxy-3',4',6',3,4-pentamethoxychalcone
0.069	[Flavanone]-A(3OMe)-B(2OMe)	Flavanone	5,6,7,3',4'-Pentamethoxyflavanone
0.040	[Flavone]-A(1OH, 1OMe)-B(1OH, 3OMe)	Flavone	5,3'-Dihydroxy-7,2',4',5'-tetramethoxyflavone
0.040	[Flavone]-A(1OH, 1OMe)-B(1OH, 3OMe)	Flavone	5,4'-Dihydroxy-7,2',3',5'-tetramethoxyflavone
0.040	[Flavone]-A(2OH)-B(4OMe)	Flavone	5,7-Dihydroxy-2',3',4',5'-tetramethoxyflavone
0.040	[Flavone]-A(2OH, 1OMe)-B(3OMe)	Flavone	Arteanoflavone
0.040	[Flavone]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavone	5,4'-Dihidroxy-6,7,3',5'-tetramethoxyflavone
0.040	[Flavone]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavone	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavone
0.040	[Flavone]-A(2OH, 1OMe)-B(3OMe)	Flavone	Tabularin
0.040	[Flavone]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavone	5,3'-Dihydroxy-7,8,4',5'-tetramethoxyflavone
0.040	[Flavone]-A(2OH, 1OMe)-B(3OMe)	Flavone	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone
0.040	[Flavone]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavone	5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone
0.040	[Flavone]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavone	Skullcapflavone II
0.040	[Flavone]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavone	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
0.040	[Flavone]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavone	7-Methylsudachitin
0.040	[Flavone]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavone	Gardenin D
0.040	[Flavone]-A(2OH, 2OMe)-B(2OMe)	Flavone	Hymenoxin
0.040	[Flavone]-A(2OH, 2OMe)-B(2OMe)	Flavone	Pebrellin
0.036	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(3OMe)	2'-Hydroxychalcone	2'-Hydroxy-3,4,5,4',6'-pentamethoxychalcone
0.036	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(3OMe)	2'-Hydroxychalcone	Rubone
0.033	[Flavanone]-A(4OMe)-B(1OMe)	Flavanone	5,6,7,8,4'-Pentamethoxyflavanone
0.000	[2'-Hydroxychalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Spinochalcone C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(none)	2'-Hydroxychalcone	Spinochalcone B
0.000	[Flavanone]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	8-C-Prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
0.000	[Flavanone]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Maximaflavanone A
0.000	[Flavanone]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(2OH)	Flavanone	6-C-(3-Hydroxyisopentyl)eriodictyol
0.000	[Dihydroflavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Dihydroflavonol	8-(3-hydroxy-3-methylbutyl)aromadendrin
0.000	[Dihydroflavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Dihydroflavonol	6-(3-Hydroxy-3-methylbutyl)aromadendrin
0.000	[Dihydroflavonol]-A(2OH, 1(3-Oxobutyl))-B(2OH)	Dihydroflavonol	6-(3''-Oxobutyl)taxifolin
0.000	[Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	3,5,2'-Trihydroxy-7,8-dimethoxyflavanone 3-O-acetate
0.000	[Flavonol (3-OMe)]-A(2OH)-B(3OMe)	Flavonol	Myricetin 3,3',4',5'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Myricetin 3,7,3',4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavonol	5,5'-Dihydroxy-3,7,3',4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Myricetin 3,7,3',5'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(2OH, 1OMe)	Flavonol	6,8-Di-C-methylmyricetin 3,4'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(2OH, 1OMe)	Flavonol	5-O-Methyloxyayanin-A
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Chrysosplenol G
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Chrysosplenol E
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavonol	6,5'-Dihydroxy-3,7,2',4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,5,6,3'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,5,7,3'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,5,7,4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Bonanzin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Chrysosplenetin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Casticin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Quercetagetin 3,7,3',4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(2OH)	Flavonol	8-C-Methylquercetagetin 3,6,7-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(1OH, 1OMe)	Flavonol	8-C-Methylquercetagetin 3,6,3'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Chrysosplin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Gossypetin 3,5,8,3'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Gossypetin 3,7,3',4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Ternatin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Gossypetin 3,7,8,4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Gossypetin 3,8,3',4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,7,8,2'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH)	Flavonol	7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OMe)	Flavonol	5,8-Dihydroxy-3,6,7,4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH)	Flavonol	Calycopterin
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OMe)	Flavonol	Araneosol
0.000	[Flavonol]-A(2OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Melinervin
0.000	[4-substituted Flavan (4-(4-Hydroxystyryl))]-A(1OMe)-B(1OH)	4-substituted Flavan	4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan
0.000	[6-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe)	6-Hydroxyrotenone	Dihydrostemonal