ピーク情報

＜魚類＞（たい類）まだい天然生

pos

Peak #1213 MN MID: SE117_S101921_M90

m/z: 537.16743, RT: 19.77, 強度: 726165, ログ強度: 2.33, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 46

DB検索結果: (16 names) Fructose lactate;2-O-(alpha-D-Glucopyranosyl)-D-glycerate;(R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate;galactose lactate;3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid;3-Deoxy-D-glycero-D-gal...

DBごとのヒット数: ALL 9 KG 3 KN 2 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
C9H16O9	268.07943	2.406	Fructose lactate	HMDB: HMDB0252491
C9H16O9	268.07943	2.406	2-O-(alpha-D-Mannosyl)-D-glycerate	KEGG: C11544, C19792
C9H16O9	268.07943	2.406	galactose lactate	HMDB: HMDB0252580
C9H16O9	268.07943	2.406	3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	HMDB: HMDB0000425
C9H16O9	268.07943	2.406	3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonate	KEGG: C20934
C10H12O5N4	268.08077	-2.583	6-Isoinosine	KNApSAcK: C00050742
C10H12O5N4	268.08077	-2.583	Allopurinol riboside	HMDB: HMDB0000481
C10H12O5N4	268.08077	-2.583	Inosine	HMDB: HMDB0000195, HMDB0003040, HMDB0247301 KEGG: C00294 KNApSAcK: C00019692
C10H12O5N4	268.08077	-2.583	Formycin B	HMDB: HMDB0252449 KNApSAcK: C00018725

MSnスペクトル情報

Level: 2, プリカーサーm/z: 537.16699

Splash: splash10-014i-0090000000-93dba1ff57e63dde1b09

m/z	Int.	NL	Rel.Int.
268.95	8028	268	1000
270.05	1036	267	129

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1OMe, 1(C-Glu))-B(3OMe)	Flavone	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
0.000	[Isoflavone]-A(2OH, 1OMe, 1(C-Glu))-B(3OMe)	Isoflavone	Dalpaniculin

Level: 3, プリカーサーm/z: 268.94913

Splash: splash10-000i-0900000000-8bdb8e41982b2542ef68

m/z	Int.	NL	Rel.Int.
136.92	4388	132	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OMe)-B(1OH)	Flavone	Isopratol
[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Trigraecum
[Flavone]-A(1OH)-B(1OMe)	Flavone	5-Hydroxy-2'-methoxyflavone
[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	5-Hydroxy-6-methoxyflavone
[Flavone]-A(1OH)-B(1OMe)	Flavone	6-Hydroxy-4'-methoxyflavone
[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Tectochrysin
[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Formononetin
[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Pallidiflorin
[Isoflavone]-A(1OMe)-B(1OH)	Isoflavone	Isoformononetin
[Isoflavone]-A(1OH, 1OMe)-B(none)	Isoflavone	5-Hydroxy-7-methoxyisoflavone
[Coumestan]-A(1OH)-B(1OH)	Coumestan	Coumestrol
[Flavonol]-A(none)-B(1OMe)	Flavonol	3-Hydroxy-4'-methoxyflavone
[Aurone]-A(1OH, 1Methyl)-B(1OH)	Aurone	6,4'-Dihydroxy-7-methylaurone
[Flavanone]-A(1OH, 2Methyl)-B(none)	Flavanone	7-Hydroxy-6,8-di-C-methylflavanone
[Flavone]-A(2OH, 1Methyl)-B(none)	Flavone	Strobochrysin
[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Dalbergin
[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Isodalbergin

Level: 3, プリカーサーm/z: 270.05322

Splash: splash10-000i-0900000000-2ecf8498fca7c4ca9284

m/z	Int.	NL	Rel.Int.
136.99	640	133	1000
137.97	524	132	818

関連ピーク情報

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
	19.81	575.12461	37.9572	0.42	[2M+K]+	(16 names) 6-Isoinosine; Ara-HX; Allopurinol riboside; Formycin b; Fructose lactate; 2-O-(alpha-D-Glucopyranosyl)-D-glycerate; (R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate; galactose lactate; 3-Deoxy-D-glycero-...	ALL 9 KG 3 KN 2 HM 4	MS2 MS3			35
1213	19.77	537.16743	0.0000	2.33	[2M+H]+	(16 names) Fructose lactate; 2-O-(alpha-D-Glucopyranosyl)-D-glycerate; (R)-2-(alpha-D-Glucopyranosyloxy)-3-hydroxypropanoate; galactose lactate; 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid; 3-Deoxy-D-glycero-D-gal...	ALL 9 KG 3 KN 2 HM 4	MS2 MS3 x 2			46

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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