ピーク情報

（かんきつ類）すだち果汁生

pos

Peak #1358 MN MID: SE118_S070791_M90

m/z: 193.03419, RT: 18.66, 強度: 54063, ログ強度: 1.36, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 65

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	-0.478	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	HMDB: HMDB0005971, HMDB0006511, HMDB0062803, [-1]HMDB0304040 KEGG: C04575 LipidMAPS: LMFA01060195
C6H8O7	192.02700	-0.478	5-Dehydro-4-deoxy-D-glucarate	KEGG: C00679, C03921, C21091
C6H8O7	192.02700	-0.478	Isocitric acid	HMDB: HMDB0000193, HMDB0001874, HMDB0033717, [-3]HMDB0304324 KEGG: C00311, C04617, C00451 KNApSAcK: C00001188
C6H8O7	192.02700	-0.478	D-Glucaro-1,5-lactone	KEGG: C20890, C20889
C6H8O7	192.02700	-0.478	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	-0.478	dehydroascorbate (bicyclic form)	HMDB: HMDB0304326
C6H8O7	192.02700	-0.478	D-Glucaro-1,4-lactone	HMDB: HMDB0041862 KEGG: C21095, C20896
C6H8O7	192.02700	-0.478	2-carboxy-L-xylonolactone	HMDB: [-1]HMDB0304063
C6H8O7	192.02700	-0.478	Carboxymethyloxysuccinate	KEGG: C03600
C6H8O7	192.02700	-0.478	Sodium ferricitropyrophosphate	HMDB: [-4f]HMDB0303295
C6H8O7	192.02700	-0.478	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: 193.03415

Splash: splash10-00di-0900000000-433270dcc97ed0f3014b

m/z	Int.	NL	Rel.Int.
174.87	358482	18	1000
146.95	18742	46	52

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
	18.64	253.09169	60.0575	0.50	[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
	18.66	234.06072	41.0265	1.30	[M+ACN+H]+, [M-H2O+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		44
1358	18.66	193.03419	0.0000	1.36	[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	65
	18.61	175.02361	-18.0106	-0.11	[M-H2O+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

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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