ピーク情報

リーフレタスグリーン

pos

Peak #1050 MN MID: SE198_S12_M90

m/z: 342.13924, RT: 14.13, 強度: 68028, ログ強度: 1.34, アダクト: [2M+NH4]+, [M-H2O+NH4]+, 共有数（同様のピークを含むサンプル数）: 19

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: 1

S: 1

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	-0.725	3-Hydroxy-2-methylglutaric acid	HMDB: HMDB0029169
C6H10O5	162.05282	-0.725	2-(2-Hydroxy-1-oxopropoxy)propionic acid	HMDB: HMDB0247139
C6H10O5	162.05282	-0.725	(S)-2-(Hydroxymethyl)glutarate	KEGG: C16390
C6H10O5	162.05282	-0.725	(2R,3S)-2,3-Dimethylmalate	HMDB: [-2]HMDB0303969 KEGG: C03652 LipidMAPS: LMFA01050470
C6H10O5	162.05282	-0.725	1,5,6-Trihydroxyhexane-2,3-dione	HMDB: HMDB0255346
C6H10O5	162.05282	-0.725	1,5-Anhydro-D-fructose	HMDB: HMDB0041561 KEGG: C06485
C6H10O5	162.05282	-0.725	Lichenin	KEGG: C00478
C6H10O5	162.05282	-0.725	(R)-2-Ethylmalate	HMDB: HMDB0059758 KEGG: C02488 LipidMAPS: LMFA01050454
C6H10O5	162.05282	-0.725	Lichenin	HMDB: HMDB0302349
C6H10O5	162.05282	-0.725	3-Ethylmalate	KEGG: C01989
C6H10O5	162.05282	-0.725	3,6-Anhydro-alpha-L-galactopyranose	KEGG: C20902
C6H10O5	162.05282	-0.725	Diethyl pyrocarbonate	HMDB: HMDB0032873 KEGG: C11592
C6H10O5	162.05282	-0.725	3-(hydroxy-methyl)-pentanedioic acid	LipidMAPS: LMFA01170091
C6H10O5	162.05282	-0.725	Conduritol B epoxide	HMDB: HMDB0247281 KNApSAcK: C00053117
C6H10O5	162.05282	-0.725	2-Deoxy-scyllo-inosose	KEGG: C17209
C6H10O5	162.05282	-0.725	Levoglucosan	HMDB: HMDB0000640 KEGG: C22350 KNApSAcK: C00007411
C6H10O5	162.05282	-0.725	3,6-Anhydroglucose	HMDB: HMDB0246074 KEGG: C06478, C06474 KNApSAcK: C00052669
C6H10O5	162.05282	-0.725	2,5-Anhydro-D-mannose	HMDB: HMDB0245490
C6H10O5	162.05282	-0.725	Glycerol pyruvate	HMDB: HMDB0252845
C6H10O5	162.05282	-0.725	2-Dehydro-3-deoxy-D-fuconate	HMDB: [-1]HMDB0304074 KEGG: C06159, C03827, C03979
C6H10O5	162.05282	-0.725	D-Fucono-1,4-lactone	HMDB: HMDB0302823 KEGG: C06158, C02991
C6H10O5	162.05282	-0.725	(R)-3,3-Dimethylmalate	KEGG: C01088
C6H10O5	162.05282	-0.725	3-Hydroxy-3-methylglutarate	HMDB: HMDB0000355 KEGG: C03761 KNApSAcK: C00001187
C6H10O5	162.05282	-0.725	2-Hydroxyadipate	HMDB: HMDB0000321, HMDB0000368 KEGG: C02360 LipidMAPS: LMFA01170049, LMFA01170050
C6H10O5	162.05282	-0.725	3-Hydroxyadipic acid	HMDB: HMDB0000345 LipidMAPS: LMFA01170088
C6H10O5	162.05282	-0.725	3-Deoxyglucosone	HMDB: HMDB0245856 KEGG: C22311
C6H10O5	162.05282	-0.725	D-1-Deoxy-erythro-hexo-2,3-diulose	HMDB: HMDB0029934
C6H10O5	162.05282	-0.725	L-Fucono-1,5-lactone	KEGG: C18028

MSnスペクトル情報

Level: 2, プリカーサーm/z: 342.13913

Splash: splash10-00bi-0459000000-c210e593532d57b0f384

m/z	Int.	NL	Rel.Int.
325.11	1128	17	1000
288.82	704	53	624
117.97	502	224	445
324.35	474	18	420
180.03	388	162	343
271.06	135	71	119
258.81	113	83	100
245.21	77	97	68
323.22	74	19	65
307.05	68	35	60
306.13	60	36	52

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果