ピーク情報

（かんきつ類）レモン全果生

pos

Peak #5238 MN MID: SE123_S071551_M90

m/z: 333.15434, RT: 51.12, 強度: 27990, ログ強度: 0.91, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (8 names) Phyllaemblic acid C;(+)-Phyllaemblic acid C;Gluroside;Strictoside;Tryptophyl-Glutamine;Glutaminyltryptophan;1-p-Menthen-3-one;Tryptophyl-Gamma-glutamate

DBごとのヒット数: ALL 7 KN 3 HM 4

FlavonoidSearch最大スコア MS2: 0.400, 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
C15H24O8	332.14712	-0.152	Phyllaemblic acid C	KNApSAcK: C00046300
C15H24O8	332.14712	-0.152	Gluroside	KNApSAcK: C00010602
C15H24O8	332.14712	-0.152	Strictoside	KNApSAcK: C00010540
C16H20O4N4	332.14846	-4.179	Tryptophyl-Glutamine	HMDB: HMDB0029081
C16H20O4N4	332.14846	-4.179	Glutaminyltryptophan	HMDB: HMDB0028808
C16H20O4N4	332.14846	-4.179	1-p-Menthen-3-one	HMDB: HMDB0302750
C16H20O4N4	332.14846	-4.179	Tryptophyl-Gamma-glutamate	HMDB: HMDB0029097

MSnスペクトル情報

Level: 2, プリカーサーm/z: 333.15402

Splash: splash10-0059-0923000000-8e72245543ba6872315f

m/z	Int.	NL	Rel.Int.
176.90	853	156	1000
182.99	714	150	836
315.06	529	18	619
231.01	397	102	465
126.97	264	206	309
209.03	186	124	217
301.17	85	32	100
144.95	77	188	90
318.13	75	15	88
305.14	44	28	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.400	[Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
0.214	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,3'-dimethyl ether
0.214	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,4'-dimethyl ether
0.214	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone
0.188	[Isoflavanone]-A(2OH)-B(1OH, 2OMe)	Isoflavanone	Parvisoflavanone
0.167	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe)	Dihydroflavonol	3,5,7-Trihydroxy-6,4'-dimethoxyflavanone
0.167	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe)	Dihydroflavonol	3,5,7-Trihydroxy-8,4'-dimethoxyflavanone
0.167	[Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavanone	Dihydrotricetin 7,3'-dimethyl ether
0.167	[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	Dioclein
0.167	[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	5,2',5'-Trihydroxy-7,8-dimethoxyflavanone
0.167	[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone
0.167	[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone
0.143	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Allopatuletin
0.143	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Patuletin
0.143	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Quercetagetin 7-methyl ether
0.143	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Ranupetin
0.143	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Corniculatusin
0.091	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Myricetin 5-methyl ether
0.091	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Europetin
0.091	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3'-methyl ether
0.091	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 4'-methyl ether
0.091	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Haplogenin
0.091	[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Laricitrin
0.091	[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Mearnsetin
0.077	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone
0.077	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone
0.077	[Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-6,7-dimethoxyflavanone
0.077	[Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)	Dihydroflavonol	3,5,2'-Trihydroxy-7,8-dimethoxyflavanone
0.071	[Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,7,3'-trimethyl ether
0.071	[Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,7,4'-trimethyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(3OH)	Flavone	3',4',5'-Trihydroxywogonin
0.000	[Flavone]-A(3OH, 1OMe)-B(2OH)	Flavone	5,7,8,3',4'-Pentahydroxy-6-methoxyflavone
0.000	[Flavone]-A(3OH, 1OMe)-B(2OH)	Flavone	5,6,7,3',4'-Pentahydroxy-8-methoxyflavone
0.000	[Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Duartin
0.000	[Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Isoduartin
0.000	[Isoflavan]-A(1OH)-B(1OH, 3OMe)	Isoflavan	Lonchocarpan
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe)	Dihydrochalcone	2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe)	Dihydrochalcone	2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 3OMe)-B(none)	Dihydrochalcone	Dihydropedicin
0.000	[Dihydrochalcone]-A(2OH, 3OMe)-B(none)	Dihydrochalcone	3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone
0.000	[CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone]-A(2OH)-B(2OH)	CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone	Crombenin
0.000	[Flavonol (3-OMe)]-A(2OH)-B(3OH)	Flavonol	Annulatin
0.000	[Flavonol]-A(2OH, 1Methyl)-B(3OH)	Flavonol	Pinomyricetin
0.000	[Flavonol]-A(2OH)-B(3OH, 1Methyl)	Flavonol	2'-C-Methylmyricetin
0.000	[Flavonol (3-OMe)]-A(3OH)-B(2OH)	Flavonol	Quercetagetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(2OH)	Flavonol	Gossypetin 3-methyl ether
0.000	[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(none)	4-substituted Flavan 3-ol	3'-Deoxydryopteric acid
0.000	[Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OMe)	Flavan 4-ol	4,5,7-Trihydroxy-4'-methoxy-6-hydroxymethyl-8-methylflavan
0.000	[Flavan 3,4-diol]-A(1OMe)-B(2OMe)	Flavan 3,4-diol	Fisetinidol-4beta-ol 7,3',4'-trimethyl ether

Level: 3, プリカーサーm/z: 176.90027

Splash: splash10-0002-0900000000-e1a1c848bad4334c753e

m/z	Int.	NL	Rel.Int.
145.00	361	32	1000
163.15	22	14	60

Level: 3, プリカーサーm/z: 182.98596

Splash: splash10-014i-0900000000-26904ec251b5abfd13d4