ピーク情報

リーフレタスグリーン

neg

Peak #1627 MN MID: SE198_S12_M91

m/z: 191.01974, RT: 15.40, 強度: 84360, ログ強度: 1.49, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 5

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	0.053	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	HMDB: HMDB0005971, HMDB0006511, HMDB0062803, [-1]HMDB0304040 KEGG: C04575 LipidMAPS: LMFA01060195
C6H8O7	192.02700	0.053	5-Dehydro-4-deoxy-D-glucarate	KEGG: C00679, C03921, C21091
C6H8O7	192.02700	0.053	Isocitric acid	HMDB: HMDB0000193, HMDB0001874, HMDB0033717, [-3]HMDB0304324 KEGG: C00311, C04617, C00451 KNApSAcK: C00001188
C6H8O7	192.02700	0.053	D-Glucaro-1,5-lactone	KEGG: C20890, C20889
C6H8O7	192.02700	0.053	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	0.053	dehydroascorbate (bicyclic form)	HMDB: HMDB0304326
C6H8O7	192.02700	0.053	D-Glucaro-1,4-lactone	HMDB: HMDB0041862 KEGG: C21095, C20896
C6H8O7	192.02700	0.053	2-carboxy-L-xylonolactone	HMDB: [-1]HMDB0304063
C6H8O7	192.02700	0.053	Carboxymethyloxysuccinate	KEGG: C03600
C6H8O7	192.02700	0.053	Sodium ferricitropyrophosphate	HMDB: [-4f]HMDB0303295
C6H8O7	192.02700	0.053	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: 191.01915

Splash: splash10-03di-0900000000-b35eeb3382a0bb3eb10d

m/z	Int.	NL	Rel.Int.
110.86	252128	80	1000
172.94	58320	18	231

Level: 3, プリカーサーm/z: 172.96947

Splash: splash10-03di-0900000000-a5fbaf07602078821aa3

m/z	Int.	NL	Rel.Int.
110.92	10916	62	1000
129.01	929	44	85

Level: 3, プリカーサーm/z: 110.88858

Splash: splash10-014i-9000000000-64b31e67190d7f681a4b

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MSnスペクトル情報

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