ピーク情報

にがうり果実生ゴーヤ

pos

Peak #892 MN MID: SE120_S062051_M90

m/z: 173.12835, RT: 19.98, 強度: 1511, ログ強度: -0.33, アダクト: [M+ACN+H]+, 共有数（同様のピークを含むサンプル数）: 116

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	-0.794	3-Aminocaproic acid	HMDB: HMDB0029168
C6H13O2N	131.09463	-0.794	Alanine betaine	HMDB: HMDB0240479
C6H13O2N	131.09463	-0.794	N-(2-Hydroxyethyl)-morpholine	HMDB: HMDB0060650
C6H13O2N	131.09463	-0.794	L-isoleucine	HMDB: HMDB0000172, HMDB0000557, HMDB0033923 KEGG: C16434, C00407, C06418, C21092, C21096 KNApSAcK: C00001374 LipidMAPS: LMFA01100047
C6H13O2N	131.09463	-0.794	1-Hydroxy-5,5-dimethylpyrrolidin-2-ol	HMDB: HMDB0257628
C6H13O2N	131.09463	-0.794	N-methylvaline	HMDB: HMDB0061716
C6H13O2N	131.09463	-0.794	L-Leucine	HMDB: HMDB0000687, HMDB0013773 KEGG: C16439, C00123, C01570 KNApSAcK: C00001377 LipidMAPS: LMFA01100048
C6H13O2N	131.09463	-0.794	L-Valine, methyl ester	HMDB: HMDB0253926
C6H13O2N	131.09463	-0.794	6-Deoxy-fagomine	HMDB: HMDB0036382 KNApSAcK: C00036613
C6H13O2N	131.09463	-0.794	1-Nitrohexane	HMDB: [1]HMDB0013812
C6H13O2N	131.09463	-0.794	beta-Alaninebetaine	HMDB: HMDB0304538 KEGG: C08263 KNApSAcK: C00001334
C6H13O2N	131.09463	-0.794	(3R)-beta-Leucine	HMDB: HMDB0003640, HMDB0245808 KEGG: C02486
C6H13O2N	131.09463	-0.794	6-Aminohexanoate	HMDB: HMDB0001901 KEGG: C02378 LipidMAPS: LMFA01100035
C6H13O2N	131.09463	-0.794	N,N-Diethylglycine	KEGG: C16647
C6H13O2N	131.09463	-0.794	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: 173.12830

Splash: splash10-001i-0900000000-aeee5a0481a9bc063edf

m/z	Int.	NL	Rel.Int.
131.85	5345	41	1000
154.91	359	18	67

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	共有数
892	19.98	173.12835	0.0000	-0.33	[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	116
	20.08	173.12766	-0.0007	-0.45	[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	116
	20.09	132.10190	-41.0265	-0.42	[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	146
	20.04	132.10141	-41.0269	-0.47	[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		147

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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