ピーク情報

（かんきつ類）かぼす果汁生

pos

Peak #950 MN MID: SE120_S070521_M90

m/z: 234.06082, RT: 13.54, 強度: 7947, ログ強度: 0.54, アダクト: [M+ACN+H]+, 共有数（同様のピークを含むサンプル数）: 14

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	-0.066	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	HMDB: HMDB0005971, HMDB0006511, HMDB0062803, [-1]HMDB0304040 KEGG: C04575 LipidMAPS: LMFA01060195
C6H8O7	192.02700	-0.066	5-Dehydro-4-deoxy-D-glucarate	KEGG: C00679, C03921, C21091
C6H8O7	192.02700	-0.066	Isocitric acid	HMDB: HMDB0000193, HMDB0001874, HMDB0033717, [-3]HMDB0304324 KEGG: C00311, C04617, C00451 KNApSAcK: C00001188
C6H8O7	192.02700	-0.066	D-Glucaro-1,5-lactone	KEGG: C20890, C20889
C6H8O7	192.02700	-0.066	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	-0.066	dehydroascorbate (bicyclic form)	HMDB: HMDB0304326
C6H8O7	192.02700	-0.066	D-Glucaro-1,4-lactone	HMDB: HMDB0041862 KEGG: C21095, C20896
C6H8O7	192.02700	-0.066	2-carboxy-L-xylonolactone	HMDB: [-1]HMDB0304063
C6H8O7	192.02700	-0.066	Carboxymethyloxysuccinate	KEGG: C03600
C6H8O7	192.02700	-0.066	Sodium ferricitropyrophosphate	HMDB: [-4f]HMDB0303295
C6H8O7	192.02700	-0.066	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-0290000000-fe971986162522ac10e8

m/z	Int.	NL	Rel.Int.
216.12	773	18	1000
197.95	197	36	254
206.06	72	28	93
133.94	47	100	60

Level: 3, プリカーサーm/z: 216.11928

Splash: splash10-000b-0900000000-9df9f85fabe78b0d18d3

m/z	Int.	NL	Rel.Int.
197.97	134	18	1000
187.93	87	28	645
169.62	19	46	144
87.00	19	129	138
125.95	13	90	98
162.16	9	54	68

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
	13.52	253.09180	19.0310	-0.22	[M+IsoProp+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		4
950	13.54	234.06082	0.0000	0.54	[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	14
	13.54	193.03423	-41.0266	0.53	[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	16

ピーク情報

DB検索結果

MSnスペクトル情報

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