ピーク情報

（かんきつ類）レモン全果生

pos

Peak #1052 MN MID: SE123_S071551_M90

m/z: 234.06070, RT: 18.61, 強度: 11584, ログ強度: 0.53, 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	-0.646	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	HMDB: HMDB0005971, HMDB0006511, HMDB0062803, [-1]HMDB0304040 KEGG: C04575 LipidMAPS: LMFA01060195
C6H8O7	192.02700	-0.646	5-Dehydro-4-deoxy-D-glucarate	KEGG: C00679, C03921, C21091
C6H8O7	192.02700	-0.646	Isocitric acid	HMDB: HMDB0000193, HMDB0001874, HMDB0033717, [-3]HMDB0304324 KEGG: C00311, C04617, C00451 KNApSAcK: C00001188
C6H8O7	192.02700	-0.646	D-Glucaro-1,5-lactone	KEGG: C20890, C20889
C6H8O7	192.02700	-0.646	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	-0.646	dehydroascorbate (bicyclic form)	HMDB: HMDB0304326
C6H8O7	192.02700	-0.646	D-Glucaro-1,4-lactone	HMDB: HMDB0041862 KEGG: C21095, C20896
C6H8O7	192.02700	-0.646	2-carboxy-L-xylonolactone	HMDB: [-1]HMDB0304063
C6H8O7	192.02700	-0.646	Carboxymethyloxysuccinate	KEGG: C03600
C6H8O7	192.02700	-0.646	Sodium ferricitropyrophosphate	HMDB: [-4f]HMDB0303295
C6H8O7	192.02700	-0.646	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: 234.06017

Splash: splash10-014j-0490000000-dbbb3b99f0ca24324054

m/z	Int.	NL	Rel.Int.
215.96	3473	18	1000
197.94	1754	36	504

Level: 3, プリカーサーm/z: 197.93811

Splash: splash10-001i-0900000000-e87707ed99bd21b3ee3a

m/z	Int.	NL	Rel.Int.
130.02	479	68	1000

Level: 3, プリカーサーm/z: 215.96457

Splash: splash10-000b-0900000000-4dad2042355cb6846dfc

m/z	Int.	NL	Rel.Int.
197.97	476	18	1000
188.06	375	28	787
170.03	57	46	119
145.97	32	70	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	FS2	FS3	共有数
1052	18.61	234.06070	0.0000	0.53	[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 x 2			44
	18.60	193.03413	-41.0266	1.04	[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 x 2			65

ピーク情報

DB検索結果

MSnスペクトル情報

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