ピーク情報

リーフレタスグリーン

pos

Peak #1133 MN MID: SE198_S12_M90

m/z: 263.01621, RT: 14.60, 強度: 42841, ログ強度: 0.87, アダクト: [M+CH3OH+K]+, [M+K]+, 共有数（同様のピークを含むサンプル数）: 7

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: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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	-0.857	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	HMDB: HMDB0005971, HMDB0006511, HMDB0062803, [-1]HMDB0304040 KEGG: C04575 LipidMAPS: LMFA01060195
C6H8O7	192.02700	-0.857	5-Dehydro-4-deoxy-D-glucarate	KEGG: C00679, C03921, C21091
C6H8O7	192.02700	-0.857	Isocitric acid	HMDB: HMDB0000193, HMDB0001874, HMDB0033717, [-3]HMDB0304324 KEGG: C00311, C04617, C00451 KNApSAcK: C00001188
C6H8O7	192.02700	-0.857	D-Glucaro-1,5-lactone	KEGG: C20890, C20889
C6H8O7	192.02700	-0.857	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	-0.857	dehydroascorbate (bicyclic form)	HMDB: HMDB0304326
C6H8O7	192.02700	-0.857	D-Glucaro-1,4-lactone	HMDB: HMDB0041862 KEGG: C21095, C20896
C6H8O7	192.02700	-0.857	2-carboxy-L-xylonolactone	HMDB: [-1]HMDB0304063
C6H8O7	192.02700	-0.857	Carboxymethyloxysuccinate	KEGG: C03600
C6H8O7	192.02700	-0.857	Sodium ferricitropyrophosphate	HMDB: [-4f]HMDB0303295
C6H8O7	192.02700	-0.857	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: 263.01617

Splash: splash10-004j-0390000000-ac00f7925b5c54c8d9c2

m/z	Int.	NL	Rel.Int.
245.00	1391	18	1000
129.98	1208	133	868
218.16	748	45	537
244.09	527	19	378
228.05	512	35	367
246.03	348	17	250
227.02	243	36	174
217.02	192	46	138
131.13	145	132	104
219.10	130	44	93
234.16	108	29	77
204.01	106	59	76
221.07	88	42	63
176.03	87	87	62
133.93	87	129	62
216.30	80	47	57
235.18	79	28	56

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Aurone]-A(1([2,3:@@]-Furano))-B(none)	Aurone	Furano[2'',3'':6,7]aurone

Level: 3, プリカーサーm/z: 245.08356

Splash: splash10-004i-0590000000-8b7cb873802dc6aab4d3

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
227.01	122	18	1000
217.22	71	28	582
199.16	41	46	333
171.02	28	74	226
203.02	27	42	218
227.87	24	17	198
214.99	20	30	160
201.19	14	44	117
188.07	14	57	114
159.18	13	86	110
133.22	11	112	86
185.25	9	60	69
143.20	8	102	68
189.14	8	56	67
164.94	8	80	64
200.14	7	45	57
173.14	7	72	55
137.90	7	107	55
174.99	6	70	52