ピーク情報

リーフレタスグリーン

pos

Peak #811 MN MID: SE198_S12_M90

m/z: 363.06879, RT: 13.07, 強度: 34195, ログ強度: 1.04, アダクト: [2M+K]+, [M-H2O+K]+, 共有数（同様のピークを含むサンプル数）: 10

DB検索結果: (34 names) 3-Hydroxy-2-methylglutaric acid;2-(2-Hydroxy-1-oxopropoxy)propionic acid;(S)-2-(Hydroxymethyl)glutarate;(2R,3S)-2,3-Dimethylmalate;1,5,6-Trihydroxyhexane-2,3-dione;Lichenin;Lichenan;D-1,5-Anhydrofruct...

DBごとのヒット数: ALL 31 KG 18 KN 1 HM 10 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

DB検索結果

ppm

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
C6H10O5	162.05282	-0.057	3-Hydroxy-2-methylglutaric acid	HMDB: HMDB0029169
C6H10O5	162.05282	-0.057	2-(2-Hydroxy-1-oxopropoxy)propionic acid	HMDB: HMDB0247139
C6H10O5	162.05282	-0.057	(S)-2-(Hydroxymethyl)glutarate	KEGG: C16390
C6H10O5	162.05282	-0.057	(2R,3S)-2,3-Dimethylmalate	HMDB: [-2]HMDB0303969 KEGG: C03652 LipidMAPS: LMFA01050470
C6H10O5	162.05282	-0.057	1,5,6-Trihydroxyhexane-2,3-dione	HMDB: HMDB0255346
C6H10O5	162.05282	-0.057	1,5-Anhydro-D-fructose	HMDB: HMDB0041561 KEGG: C06485
C6H10O5	162.05282	-0.057	Lichenin	KEGG: C00478
C6H10O5	162.05282	-0.057	(R)-2-Ethylmalate	HMDB: HMDB0059758 KEGG: C02488 LipidMAPS: LMFA01050454
C6H10O5	162.05282	-0.057	Lichenin	HMDB: HMDB0302349
C6H10O5	162.05282	-0.057	3-Ethylmalate	KEGG: C01989
C6H10O5	162.05282	-0.057	3,6-Anhydro-alpha-L-galactopyranose	KEGG: C20902
C6H10O5	162.05282	-0.057	Diethyl pyrocarbonate	HMDB: HMDB0032873 KEGG: C11592
C6H10O5	162.05282	-0.057	3-(hydroxy-methyl)-pentanedioic acid	LipidMAPS: LMFA01170091
C6H10O5	162.05282	-0.057	Conduritol B epoxide	HMDB: HMDB0247281 KNApSAcK: C00053117
C6H10O5	162.05282	-0.057	2-Deoxy-scyllo-inosose	KEGG: C17209
C6H10O5	162.05282	-0.057	Levoglucosan	HMDB: HMDB0000640 KEGG: C22350 KNApSAcK: C00007411
C6H10O5	162.05282	-0.057	3,6-Anhydroglucose	HMDB: HMDB0246074 KEGG: C06478, C06474 KNApSAcK: C00052669
C6H10O5	162.05282	-0.057	2,5-Anhydro-D-mannose	HMDB: HMDB0245490
C6H10O5	162.05282	-0.057	Glycerol pyruvate	HMDB: HMDB0252845
C6H10O5	162.05282	-0.057	2-Dehydro-3-deoxy-D-fuconate	HMDB: [-1]HMDB0304074 KEGG: C06159, C03827, C03979
C6H10O5	162.05282	-0.057	D-Fucono-1,4-lactone	HMDB: HMDB0302823 KEGG: C06158, C02991
C6H10O5	162.05282	-0.057	(R)-3,3-Dimethylmalate	KEGG: C01088
C6H10O5	162.05282	-0.057	3-Hydroxy-3-methylglutarate	HMDB: HMDB0000355 KEGG: C03761 KNApSAcK: C00001187
C6H10O5	162.05282	-0.057	2-Hydroxyadipate	HMDB: HMDB0000321, HMDB0000368 KEGG: C02360 LipidMAPS: LMFA01170049, LMFA01170050
C6H10O5	162.05282	-0.057	3-Hydroxyadipic acid	HMDB: HMDB0000345 LipidMAPS: LMFA01170088
C6H10O5	162.05282	-0.057	3-Deoxyglucosone	HMDB: HMDB0245856 KEGG: C22311
C6H10O5	162.05282	-0.057	D-1-Deoxy-erythro-hexo-2,3-diulose	HMDB: HMDB0029934
C6H10O5	162.05282	-0.057	L-Fucono-1,5-lactone	KEGG: C18028

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	N原子数	S原子数	共有数
	13.08	388.18139	25.1126	0.44	[M+C2H7N+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				N 0	S 0	9
	12.59	384.15016	21.0814	0.55	[M+ACN+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				N 0	S 0	19
	13.03	381.07909	18.0103	2.43	[M+K]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4	MS2			N 0	S 0	21
811	13.07	363.06879	0.0000	1.04	[2M+K]+, [M-H2O+K]+	(34 names) 3-Hydroxy-2-methylglutaric acid; 2-(2-Hydroxy-1-oxopropoxy)propionic acid; (S)-2-(Hydroxymethyl)glutarate; (2R,3S)-2,3-Dimethylmalate; 1,5,6-Trihydroxyhexane-2,3-dione; Lichenin; Lichenan; D-1,5-Anhydrofruct...	ALL 31 KG 18 KN 1 HM 10 LM 2				N 0	S 0	10
	13.04	343.12340	-19.9454	1.40	[M+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				N 0	S 0	10
	13.04	342.13947	-20.9293	0.65	[M-H2O+NH4]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4	MS2			N 0	S 0	22
	12.58	342.13945	-20.9293	1.38	[2M+NH4]+, [M-H2O+NH4]+	(34 names) 3-Hydroxy-2-methylglutaric acid; 2-(2-Hydroxy-1-oxopropoxy)propionic acid; (S)-2-(Hydroxymethyl)glutarate; (2R,3S)-2,3-Dimethylmalate; 1,5,6-Trihydroxyhexane-2,3-dione; Lichenin; Lichenan; D-1,5-Anhydrofruct...	ALL 31 KG 18 KN 1 HM 10 LM 2	MS2 MS3 x 2		0.190	N 0	S 0	26
	12.59	325.11250	-37.9563	2.99	[2M+H]+, [M-H2O+H]+	(34 names) 3-Hydroxy-2-methylglutaric acid; 2-(2-Hydroxy-1-oxopropoxy)propionic acid; (S)-2-(Hydroxymethyl)glutarate; (2R,3S)-2,3-Dimethylmalate; 1,5,6-Trihydroxyhexane-2,3-dione; Lichenin; Lichenan; D-1,5-Anhydrofruct...	ALL 31 KG 18 KN 1 HM 10 LM 2	MS2 MS3 x 2	0.091	0.120	N 0	S 0	27
	12.56	307.10248	-55.9663	0.43	[M-2(H2O)+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				N 0	S 0	19

ピーク情報

DB検索結果

MSnスペクトル情報

関連ピーク情報