ピーク情報

うめ生

pos

Peak #1541 MN MID: SE118_S070191_M90

m/z: 234.06080, RT: 18.68, 強度: 36997, ログ強度: 1.20, アダクト: [M+ACN+H]+, 共有数（同様のピークを含むサンプル数）: 44

DB検索結果: (12 names) Diketogulonic acid;2-Dehydro-3-deoxy-D-glucarate;Isocitric acid;D-Glucaro-1,5-lactone;Citric acid;dehydroascorbate (bicyclic form);D-Glucaro-1,4-lactone;Carboxymethyloxysuccinate;(Carboxymethoxy) succ...

DBごとのヒット数: ALL 11 KG 8 HM 3

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
C6H8O7	192.02700	-0.159	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	HMDB: HMDB0005971, HMDB0006511, HMDB0062803, [-1]HMDB0304040 KEGG: C04575 LipidMAPS: LMFA01060195
C6H8O7	192.02700	-0.159	5-Dehydro-4-deoxy-D-glucarate	KEGG: C00679, C03921, C21091
C6H8O7	192.02700	-0.159	Isocitric acid	HMDB: HMDB0000193, HMDB0001874, HMDB0033717, [-3]HMDB0304324 KEGG: C00311, C04617, C00451 KNApSAcK: C00001188
C6H8O7	192.02700	-0.159	D-Glucaro-1,5-lactone	KEGG: C20890, C20889
C6H8O7	192.02700	-0.159	Citric acid	HMDB: HMDB0000094, [-3f]HMDB0303240, [-3f]HMDB0303409, [f]HMDB0303432, [-3f]HMDB0303461, [-3f]HMDB0303471, [-3f]HMDB0303488, [f]HMDB0303646, [f]HMDB0303723, [f]HMDB0303750, [f]HMDB0303751, [f]HMDB0303752, [f]HMDB0303753 KEGG: C00158, [f]C12649, [-3f]C13249, [f]C13660, [-3f]C06229 KNApSAcK: C00007619
C6H8O7	192.02700	-0.159	dehydroascorbate (bicyclic form)	HMDB: HMDB0304326
C6H8O7	192.02700	-0.159	D-Glucaro-1,4-lactone	HMDB: HMDB0041862 KEGG: C21095, C20896
C6H8O7	192.02700	-0.159	2-carboxy-L-xylonolactone	HMDB: [-1]HMDB0304063
C6H8O7	192.02700	-0.159	Carboxymethyloxysuccinate	KEGG: C03600
C6H8O7	192.02700	-0.159	Sodium ferricitropyrophosphate	HMDB: [-4f]HMDB0303295
C6H8O7	192.02700	-0.159	2,5-Didehydro-D-gluconate	KEGG: C02780 LipidMAPS: LMFA01050471

MSnスペクトル情報

Level: 2, プリカーサーm/z: 234.06035

Splash: splash10-014i-0390000000-a62fc44d37c26af581db

m/z	Int.	NL	Rel.Int.
215.97	568	18	1000
198.00	207	36	364
134.03	31	100	54

Level: 3, プリカーサーm/z: 215.97276

Splash: splash10-0fdk-0900000000-496c5a1b6724cab329ff

m/z	Int.	NL	Rel.Int.
197.95	47	18	1000
152.05	43	64	908
170.17	43	46	907
188.03	17	28	352
180.23	7	36	149
144.23	6	72	118
143.32	5	73	115
273.71	4	-58	91
154.23	3	62	58
146.09	2	70	51

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
	18.67	253.09172	19.0309	0.44	[M+IsoProp+H]+, [M+C2H6N2+H]+	(12 names) Diketogulonic acid; 2-Dehydro-3-deoxy-D-glucarate; Isocitric acid; D-Glucaro-1,5-lactone; Citric acid; dehydroascorbate (bicyclic form); D-Glucaro-1,4-lactone; Carboxymethyloxysuccinate; (Carboxymethoxy) succ...	ALL 11 KG 8 HM 3		7
1541	18.68	234.06080	0.0000	1.20	[M+ACN+H]+	(12 names) Diketogulonic acid; 2-Dehydro-3-deoxy-D-glucarate; Isocitric acid; D-Glucaro-1,5-lactone; Citric acid; dehydroascorbate (bicyclic form); D-Glucaro-1,4-lactone; Carboxymethyloxysuccinate; (Carboxymethoxy) succ...	ALL 11 KG 8 HM 3	MS2 MS3	44
	18.67	193.03423	-41.0266	1.28	[M+H]+	(12 names) Diketogulonic acid; 2-Dehydro-3-deoxy-D-glucarate; Isocitric acid; D-Glucaro-1,5-lactone; Citric acid; dehydroascorbate (bicyclic form); D-Glucaro-1,4-lactone; Carboxymethyloxysuccinate; (Carboxymethoxy) succ...	ALL 11 KG 8 HM 3	MS2 MS3	65

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報