ピーク情報

（かんきつ類）すだち果汁生

pos

Peak #1342 MN MID: SE118_S070791_M90

m/z: 385.06105, RT: 18.65, 強度: 45434, ログ強度: 1.28, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 21

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	-0.608	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	HMDB: HMDB0005971, HMDB0006511, HMDB0062803, [-1]HMDB0304040 KEGG: C04575 LipidMAPS: LMFA01060195
C6H8O7	192.02700	-0.608	5-Dehydro-4-deoxy-D-glucarate	KEGG: C00679, C03921, C21091
C6H8O7	192.02700	-0.608	Isocitric acid	HMDB: HMDB0000193, HMDB0001874, HMDB0033717, [-3]HMDB0304324 KEGG: C00311, C04617, C00451 KNApSAcK: C00001188
C6H8O7	192.02700	-0.608	D-Glucaro-1,5-lactone	KEGG: C20890, C20889
C6H8O7	192.02700	-0.608	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	-0.608	dehydroascorbate (bicyclic form)	HMDB: HMDB0304326
C6H8O7	192.02700	-0.608	D-Glucaro-1,4-lactone	HMDB: HMDB0041862 KEGG: C21095, C20896
C6H8O7	192.02700	-0.608	2-carboxy-L-xylonolactone	HMDB: [-1]HMDB0304063
C6H8O7	192.02700	-0.608	Carboxymethyloxysuccinate	KEGG: C03600
C6H8O7	192.02700	-0.608	Sodium ferricitropyrophosphate	HMDB: [-4f]HMDB0303295
C6H8O7	192.02700	-0.608	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: 385.06082

Splash: splash10-0006-0900000000-203d792aa978715cd03a

m/z	Int.	NL	Rel.Int.
192.86	1149	192	1000
174.88	418	210	364
128.95	91	256	79
139.00	76	246	66
146.80	69	238	59

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscerythrone
[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscidone
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Gancaonin P 3'-methyl ether
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	8-Prenylquercetin 4'-methyl ether
[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Dihydroflavonol	Eriotrinol
[Dihydroflavonol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Dihydroflavonol	3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
[Flavanone]-A(2OH)-B(2OMe, 1(C-Prenyl))	Flavanone	5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone
[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Oxyisocyclointegrin
[Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	Uralene
[Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavonol	5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone
[Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone
[Flavonol]-A(1OH, 1([2,3:@@]-(4,6,6-Dimethyldihydropyrano)))-B(2OH)	Flavonol	4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone
[Isoflavone]-A(2OH, Hydroxyprenyl)-B(1OH, 1OMe)	Isoflavone	Gancaonin D
[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavanone	Echinoisosophoranone
[Isoflavanone-3-ol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone-3-ol	Sophoronol
[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))	Coumestan	Mirificoumestan hydrate
[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6-Hydroxymethyl-6-methyldihydropyrano)))-B(2OH)	3-Phenylcoumarin	Licopyranocoumarin

Level: 3, プリカーサーm/z: 192.85750

Splash: splash10-00di-0900000000-1cabbcf86eee7783b354