ピーク情報

（かんきつ類）レモン全果生

pos

Peak #650 MN MID: SE123_S071551_M90

m/z: 319.18609, RT: 12.32, 強度: 23005, ログ強度: 0.83, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (16 names) Valerylglycine;Turicine;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;2-Methylerythritol;Calystegine A6;3-Dehydrocarnitine;2alpha,3beta,4alpha-Trihydroxynortropane;Isovalerylglycine;5-Acetamidoval...

DBごとのヒット数: ALL 16 KG 5 KN 7 HM 4

FlavonoidSearch最大スコア MS2: -, 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
C7H13O3N	159.08954	-0.856	Valerylglycine	HMDB: HMDB0000927
C7H13O3N	159.08954	-0.856	(-)-Betonicine	HMDB: HMDB0029230, HMDB0029409, HMDB0029412 KEGG: C08269, C21513 KNApSAcK: C00001345, C00055249
C7H13O3N	159.08954	-0.856	Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate	HMDB: HMDB0061678
C7H13O3N	159.08954	-0.856	2-Methylerythritol	HMDB: HMDB0000339 KNApSAcK: C00052127
C7H13O3N	159.08954	-0.856	Calystegine A6	HMDB: HMDB0031345 KNApSAcK: C00036864
C7H13O3N	159.08954	-0.856	3-Dehydrocarnitine	HMDB: HMDB0012154 KEGG: [1]C02636
C7H13O3N	159.08954	-0.856	2alpha,3beta,4alpha-Trihydroxynortropane	KNApSAcK: C00032627
C7H13O3N	159.08954	-0.856	Isovalerylglycine	HMDB: HMDB0000678 KNApSAcK: C00052329
C7H13O3N	159.08954	-0.856	Medicanine	HMDB: HMDB0038625 KNApSAcK: C00053465
C7H13O3N	159.08954	-0.856	5-Acetamidopentanoate	HMDB: HMDB0012175 KEGG: C03087 LipidMAPS: LMFA01030987
C7H13O3N	159.08954	-0.856	Calystegine A7	HMDB: HMDB0036384 KNApSAcK: C00036865
C7H13O3N	159.08954	-0.856	N-Acetylvaline	HMDB: HMDB0011757
C7H13O3N	159.08954	-0.856	2-Pivalamidoacetic acid	HMDB: HMDB0245297
C7H13O3N	159.08954	-0.856	Calystegine A5	KNApSAcK: C00036863
C7H13O3N	159.08954	-0.856	3-Hydroxystachydrine	HMDB: HMDB0242121 KEGG: C10151 KNApSAcK: C00002045
C7H13O3N	159.08954	-0.856	Calystegin A3	HMDB: HMDB0038593 KEGG: C10850 KNApSAcK: C00002282

MSnスペクトル情報

Level: 2, プリカーサーm/z: 319.18607

Splash: splash10-03di-0900000000-282cc0b2fd111528a99d

m/z	Int.	NL	Rel.Int.
160.04	352389	159	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(3OH)-B(3OH)	Flavone	5,6,7,3',4',5'-Hexahydroxyflavone
[Flavone]-A(3OH)-B(3OH)	Flavone	5,7,8,3',4',5'-Hexahydroxyflavone
[Flavone]-A(4OH)-B(2OH)	Flavone	Bitalgenin
[Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH)	Dihydroflavonol	Taxifolin 3-methyl ether
[Anthocyanidin]-A(3OH)-B(3OH)	Anthocyanidin	6-Hydroxydelphinidin
[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-6-methoxyflavanone
[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)	Dihydroflavonol	Dihydroisorhamnetin
[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone
[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	8-Methoxyfustin
[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	3,5,2',3'-Tetrahydroxy-7-methoxyflavanone
[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	Taxifolin 5-methyl ether
[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	Padmatin
[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 4'-methyl ether
[Dihydroflavonol]-A(1OH)-B(2OH, 1OMe)	Dihydroflavonol	Sepinol
[Flavanone]-A(3OH)-B(1OH, 1OMe)	Flavanone	8-Hydroxyhesperetin
[Flavanone]-A(2OH, 1OMe)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxy-6-methoxyflavanone
[Flavanone]-A(2OH, 1OMe)-B(2OH)	Flavanone	6-Methoxyeriodictyol
[Flavanone]-A(2OH, 1OMe)-B(2OH)	Flavanone	8-Methoxyeriodictyol
[Isoflavan]-A(2OH)-B(1OH, 2OMe)	Isoflavan	Bryaflavan
[Isoflavan]-A(2OH)-B(1OH, 2OMe)	Isoflavan	8-Demethylduartin
[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,3'-dimethyl ether
[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 7,4'-dimethyl ether
[Flavan 3-ol]-A(2OH)-B(2OMe)	Flavan 3-ol	Catechin 3',4'-dimethyl ether
[Flavonol]-A(4OH)-B(1OH)	Flavonol	3,5,6,7,8,4'-Hexahydroxyflavone
[Flavonol]-A(3OH)-B(2OH)	Flavonol	Quercetagetin
[Flavonol]-A(3OH)-B(2OH)	Flavonol	Gossypetin
[Flavonol]-A(2OH)-B(3OH)	Flavonol	3,5,8,3',4',5'-Hexahydroxyflavone
[Flavonol]-A(2OH)-B(3OH)	Flavonol	Myricetin
[Flavonol]-A(2OH)-B(3OH)	Flavonol	5'-Hydroxymorin
[Flavonol]-A(2OH)-B(3OH)	Flavonol	3,5,7,2',3',4'-Hexahydroxyflavone
[UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH)	UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone	Protofarrerol
[Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH)	Dihydroflavonol	6-Methyltaxifolin
[Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH)	Dihydroflavonol	Deodarin
[Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH)	Flavan 4-ol	4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan
[Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe)	Isoflavanone-3-ol	Bolusanthin
[3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH)	3-substituted 2-Phenylbenzofuran	Norwedelic acid

Level: 3, プリカーサーm/z: 159.99686

Splash: splash10-000i-9400000000-2f070627ebe13a918c45

m/z	Int.	NL	Rel.Int.
87.95	12612	72	1000
142.06	3648	18	289
160.08	1271	-0	100
102.01	1242	58	98