ピーク情報

＜貝類＞あさり生

pos

Peak #845 MN MID: SE117_S102811_M90

m/z: 173.12833, RT: 20.10, 強度: 4158, ログ強度: 0.30, アダクト: [M+ACN+H]+, 共有数（同様のピークを含むサンプル数）: 114

DB検索結果: (15 names) 3-Aminocaproic acid;Alanine betaine;N-(2-Hydroxyethyl)-morpholine;Isoleucine;1-Hydroxy-5,5-dimethylpyrrolidin-2-ol;N-methylvaline;Leucine;6-Deoxyfagomine;L-Valine, methyl ester;1-Nitrohexane;beta-Alan...

DBごとのヒット数: ALL 15 KG 7 KN 1 HM 7

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
C6H13O2N	131.09463	-0.917	3-Aminocaproic acid	HMDB: HMDB0029168
C6H13O2N	131.09463	-0.917	Alanine betaine	HMDB: HMDB0240479
C6H13O2N	131.09463	-0.917	N-(2-Hydroxyethyl)-morpholine	HMDB: HMDB0060650
C6H13O2N	131.09463	-0.917	L-isoleucine	HMDB: HMDB0000172, HMDB0000557, HMDB0033923 KEGG: C16434, C00407, C06418, C21092, C21096 KNApSAcK: C00001374 LipidMAPS: LMFA01100047
C6H13O2N	131.09463	-0.917	1-Hydroxy-5,5-dimethylpyrrolidin-2-ol	HMDB: HMDB0257628
C6H13O2N	131.09463	-0.917	N-methylvaline	HMDB: HMDB0061716
C6H13O2N	131.09463	-0.917	L-Leucine	HMDB: HMDB0000687, HMDB0013773 KEGG: C16439, C00123, C01570 KNApSAcK: C00001377 LipidMAPS: LMFA01100048
C6H13O2N	131.09463	-0.917	L-Valine, methyl ester	HMDB: HMDB0253926
C6H13O2N	131.09463	-0.917	6-Deoxy-fagomine	HMDB: HMDB0036382 KNApSAcK: C00036613
C6H13O2N	131.09463	-0.917	1-Nitrohexane	HMDB: [1]HMDB0013812
C6H13O2N	131.09463	-0.917	beta-Alaninebetaine	HMDB: HMDB0304538 KEGG: C08263 KNApSAcK: C00001334
C6H13O2N	131.09463	-0.917	(3R)-beta-Leucine	HMDB: HMDB0003640, HMDB0245808 KEGG: C02486
C6H13O2N	131.09463	-0.917	6-Aminohexanoate	HMDB: HMDB0001901 KEGG: C02378 LipidMAPS: LMFA01100035
C6H13O2N	131.09463	-0.917	N,N-Diethylglycine	KEGG: C16647
C6H13O2N	131.09463	-0.917	L-Norleucine	HMDB: HMDB0001645, HMDB0251526 KEGG: C01933 KNApSAcK: C00053319 LipidMAPS: LMFA01100042

MSnスペクトル情報

Level: 2, プリカーサーm/z: 173.12767

Splash: splash10-001i-0900000000-07c86816b15939fda6f1

m/z	Int.	NL	Rel.Int.
131.80	828	41	1000
155.03	119	18	144

Level: 3, プリカーサーm/z: 131.77637

Splash: splash10-000i-9600000000-b591f472a38ef8688139

m/z	Int.	NL	Rel.Int.
87.80	7	44	1000
114.04	5	18	746
85.91	4	46	590
103.96	4	28	585
96.06	2	36	313

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
845	20.10	173.12833	0.0000	0.30	[M+ACN+H]+	(15 names) 3-Aminocaproic acid; Alanine betaine; N-(2-Hydroxyethyl)-morpholine; Isoleucine; 1-Hydroxy-5,5-dimethylpyrrolidin-2-ol; N-methylvaline; Leucine; 6-Deoxyfagomine; L-Valine, methyl ester; 1-Nitrohexane; beta-Alan...	ALL 15 KG 7 KN 1 HM 7	MS2 MS3			114
	20.08	132.10141	-41.0269	0.17	[M+H]+	(15 names) 3-Aminocaproic acid; Alanine betaine; N-(2-Hydroxyethyl)-morpholine; Isoleucine; 1-Hydroxy-5,5-dimethylpyrrolidin-2-ol; N-methylvaline; Leucine; 6-Deoxyfagomine; L-Valine, methyl ester; 1-Nitrohexane; beta-Alan...	ALL 15 KG 7 KN 1 HM 7	MS2 MS3			146

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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