ピーク情報

＜魚類＞（たい類）まだい天然生

pos

Peak #1239 MN MID: SE117_S101921_M90

m/z: 575.12461, RT: 19.81, 強度: 8847, ログ強度: 0.42, アダクト: [2M+K]+, 共有数（同様のピークを含むサンプル数）: 35

DB検索結果: (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-...

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
C10H12O5N4	268.08077	-0.157	6-Isoinosine	KNApSAcK: C00050742
C10H12O5N4	268.08077	-0.157	Allopurinol riboside	HMDB: HMDB0000481
C10H12O5N4	268.08077	-0.157	Inosine	HMDB: HMDB0000195, HMDB0003040, HMDB0247301 KEGG: C00294 KNApSAcK: C00019692
C10H12O5N4	268.08077	-0.157	Formycin B	HMDB: HMDB0252449 KNApSAcK: C00018725
C9H16O9	268.07943	4.832	Fructose lactate	HMDB: HMDB0252491
C9H16O9	268.07943	4.832	2-O-(alpha-D-Mannosyl)-D-glycerate	KEGG: C11544, C19792
C9H16O9	268.07943	4.832	galactose lactate	HMDB: HMDB0252580
C9H16O9	268.07943	4.832	3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	HMDB: HMDB0000425
C9H16O9	268.07943	4.832	3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonate	KEGG: C20934

MSnスペクトル情報

Level: 2, プリカーサーm/z: 575.12476

Splash: splash10-0a4i-0009000000-72f305c95283c04eba8f

m/z	Int.	NL	Rel.Int.
307.05	1551	268	1000

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavanone]-A(2OH, 1(2-Hydroxybenzyl), 1(2x2-hydroxybenzyl))-B(none)	Flavanone	Uvarinol
0.000	[Flavanone]-A(2OH, 1(2-Hydroxybenzyl), 1(2x2-hydroxybenzyl))-B(none)	Flavanone	Isouvarinol

Level: 3, プリカーサーm/z: 307.04517

Splash: splash10-00di-0900000000-488afb58156d5186142f

m/z	Int.	NL	Rel.Int.
174.96	200	132	1000

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

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
1239	19.81	575.12461	0.0000	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
	19.77	537.16743	-37.9572	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

FlavonoidSearch結果

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