ピーク情報

リーフレタスグリーン

pos

Peak #693 MN MID: SE198_S12_M90

m/z: 342.13945, RT: 12.58, 強度: 75099, ログ強度: 1.38, アダクト: [2M+NH4]+, [M-H2O+NH4]+, 共有数（同様のピークを含むサンプル数）: 26

DB検索結果: (34 names) 3-Hydroxy-2-methylglutaric acid;2-(2-Hydroxy-1-oxopropoxy)propionic acid;(S)-2-(Hydroxymethyl)glutarate;(2R,3S)-2,3-Dimethylmalate;1,5,6-Trihydroxyhexane-2,3-dione;Lichenin;Lichenan;D-1,5-Anhydrofruct...

DBごとのヒット数: ALL 31 KG 18 KN 1 HM 10 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.190

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

DB検索結果

ppm

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
C6H10O5	162.05282	-0.078	3-Hydroxy-2-methylglutaric acid	HMDB: HMDB0029169
C6H10O5	162.05282	-0.078	2-(2-Hydroxy-1-oxopropoxy)propionic acid	HMDB: HMDB0247139
C6H10O5	162.05282	-0.078	(S)-2-(Hydroxymethyl)glutarate	KEGG: C16390
C6H10O5	162.05282	-0.078	(2R,3S)-2,3-Dimethylmalate	HMDB: [-2]HMDB0303969 KEGG: C03652 LipidMAPS: LMFA01050470
C6H10O5	162.05282	-0.078	1,5,6-Trihydroxyhexane-2,3-dione	HMDB: HMDB0255346
C6H10O5	162.05282	-0.078	1,5-Anhydro-D-fructose	HMDB: HMDB0041561 KEGG: C06485
C6H10O5	162.05282	-0.078	Lichenin	KEGG: C00478
C6H10O5	162.05282	-0.078	(R)-2-Ethylmalate	HMDB: HMDB0059758 KEGG: C02488 LipidMAPS: LMFA01050454
C6H10O5	162.05282	-0.078	Lichenin	HMDB: HMDB0302349
C6H10O5	162.05282	-0.078	3-Ethylmalate	KEGG: C01989
C6H10O5	162.05282	-0.078	3,6-Anhydro-alpha-L-galactopyranose	KEGG: C20902
C6H10O5	162.05282	-0.078	Diethyl pyrocarbonate	HMDB: HMDB0032873 KEGG: C11592
C6H10O5	162.05282	-0.078	3-(hydroxy-methyl)-pentanedioic acid	LipidMAPS: LMFA01170091
C6H10O5	162.05282	-0.078	Conduritol B epoxide	HMDB: HMDB0247281 KNApSAcK: C00053117
C6H10O5	162.05282	-0.078	2-Deoxy-scyllo-inosose	KEGG: C17209
C6H10O5	162.05282	-0.078	Levoglucosan	HMDB: HMDB0000640 KEGG: C22350 KNApSAcK: C00007411
C6H10O5	162.05282	-0.078	3,6-Anhydroglucose	HMDB: HMDB0246074 KEGG: C06478, C06474 KNApSAcK: C00052669
C6H10O5	162.05282	-0.078	2,5-Anhydro-D-mannose	HMDB: HMDB0245490
C6H10O5	162.05282	-0.078	Glycerol pyruvate	HMDB: HMDB0252845
C6H10O5	162.05282	-0.078	2-Dehydro-3-deoxy-D-fuconate	HMDB: [-1]HMDB0304074 KEGG: C06159, C03827, C03979
C6H10O5	162.05282	-0.078	D-Fucono-1,4-lactone	HMDB: HMDB0302823 KEGG: C06158, C02991
C6H10O5	162.05282	-0.078	(R)-3,3-Dimethylmalate	KEGG: C01088
C6H10O5	162.05282	-0.078	3-Hydroxy-3-methylglutarate	HMDB: HMDB0000355 KEGG: C03761 KNApSAcK: C00001187
C6H10O5	162.05282	-0.078	2-Hydroxyadipate	HMDB: HMDB0000321, HMDB0000368 KEGG: C02360 LipidMAPS: LMFA01170049, LMFA01170050
C6H10O5	162.05282	-0.078	3-Hydroxyadipic acid	HMDB: HMDB0000345 LipidMAPS: LMFA01170088
C6H10O5	162.05282	-0.078	3-Deoxyglucosone	HMDB: HMDB0245856 KEGG: C22311
C6H10O5	162.05282	-0.078	D-1-Deoxy-erythro-hexo-2,3-diulose	HMDB: HMDB0029934
C6H10O5	162.05282	-0.078	L-Fucono-1,5-lactone	KEGG: C18028

MSnスペクトル情報

Level: 2, プリカーサーm/z: 342.13925

Splash: splash10-00di-0019000000-bea40731dbc6c6854a5a

m/z	Int.	NL	Rel.Int.
324.98	7578	17	1000
288.84	1217	53	160

Level: 3, プリカーサーm/z: 324.98486

Splash: splash10-000i-0090000000-163628c867c175190352

m/z	Int.	NL	Rel.Int.
288.76	262	36	1000
271.09	103	54	393
162.87	39	162	150
287.70	30	37	113
216.96	27	108	101
241.05	23	84	86
307.11	21	18	79
247.03	18	78	67
258.93	17	66	63
253.07	15	72	58
223.42	13	102	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.190	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.167	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.136	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.136	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.136	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.120	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.120	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.120	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.120	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.120	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.000	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Chalcone	Crotmadine
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin E
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dorsmanin A
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none)	Dihydrochalcone	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
0.000	[Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
0.000	[Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe)	Isoflavanone	Neoraunone
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavan	Crotmarine
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Glabridin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Phaseollinisoflavan
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe)	Pterocarpan	Ambonane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Neobanol

Level: 3, プリカーサーm/z: 288.84415

Splash: splash10-03di-0900000000-aebbd3db181f5cca2d09

m/z	Int.	NL	Rel.Int.
165.00	19	124	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.333	[Dihydrochalcone]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone	Dihydrocalythropsin
0.000	[Dihydrochalcone]-A(1OH)-B(2OH, 1OMe)	Dihydrochalcone	Loureirin D
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	Asebogenin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1OMe)	Dihydrochalcone	4,2',4'-Trihydroxy-3-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.000	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.000	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.000	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
0.000	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.000	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.000	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.000	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.000	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.000	[Auronol]-A(1OH)-B(2OH)	Auronol	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
0.000	[Auronol]-A(2OH)-B(1OH)	Auronol	Maesopsin
0.000	[alpha-Hydroxychalcone]-A(2OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',4',alpha-Pentahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone alpha-ol	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe)	Dihydrochalcone alpha-ol	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(1OH)	2-Hydroxyflavanone	2,5,7,4'-Tetrahydroxyflavanone
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	Cyanomaclurin
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
0.000	[Flavan]-A(1OH)-B(2OH, 1OMe)	Flavan	7,3',5'-Trihydroxy-4'-methoxyflavan

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	N原子数	S原子数	共有数
	13.08	388.18139	46.0419	0.44	[M+C2H7N+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				N 0	S 0	9
	12.59	384.15016	42.0107	0.55	[M+ACN+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				N 0	S 0	19
	13.03	381.07909	38.9396	2.43	[M+K]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4	MS2			N 0	S 0	21
	12.59	363.06884	20.9294	1.09	[2M+K]+, [M-H2O+K]+	(34 names) 3-Hydroxy-2-methylglutaric acid; 2-(2-Hydroxy-1-oxopropoxy)propionic acid; (S)-2-(Hydroxymethyl)glutarate; (2R,3S)-2,3-Dimethylmalate; 1,5,6-Trihydroxyhexane-2,3-dione; Lichenin; Lichenan; D-1,5-Anhydrofruct...	ALL 31 KG 18 KN 1 HM 10 LM 2				N 0	S 0	22
	13.07	363.06879	20.9293	1.04	[2M+K]+, [M-H2O+K]+	(34 names) 3-Hydroxy-2-methylglutaric acid; 2-(2-Hydroxy-1-oxopropoxy)propionic acid; (S)-2-(Hydroxymethyl)glutarate; (2R,3S)-2,3-Dimethylmalate; 1,5,6-Trihydroxyhexane-2,3-dione; Lichenin; Lichenan; D-1,5-Anhydrofruct...	ALL 31 KG 18 KN 1 HM 10 LM 2				N 0	S 0	10
	13.04	343.12340	0.9840	1.40	[M+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				N 0	S 0	10
	12.29	343.12339	0.9839	1.08	[M+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4	MS2 MS3	0.091	0.043	N 0	S 0	26
693	12.58	342.13945	0.0000	1.38	[2M+NH4]+, [M-H2O+NH4]+	(34 names) 3-Hydroxy-2-methylglutaric acid; 2-(2-Hydroxy-1-oxopropoxy)propionic acid; (S)-2-(Hydroxymethyl)glutarate; (2R,3S)-2,3-Dimethylmalate; 1,5,6-Trihydroxyhexane-2,3-dione; Lichenin; Lichenan; D-1,5-Anhydrofruct...	ALL 31 KG 18 KN 1 HM 10 LM 2	MS2 MS3 x 2		0.190	N 0	S 0	26
	12.59	325.11250	-17.0269	2.99	[2M+H]+, [M-H2O+H]+	(34 names) 3-Hydroxy-2-methylglutaric acid; 2-(2-Hydroxy-1-oxopropoxy)propionic acid; (S)-2-(Hydroxymethyl)glutarate; (2R,3S)-2,3-Dimethylmalate; 1,5,6-Trihydroxyhexane-2,3-dione; Lichenin; Lichenan; D-1,5-Anhydrofruct...	ALL 31 KG 18 KN 1 HM 10 LM 2	MS2 MS3 x 2	0.091	0.120	N 0	S 0	27
	12.56	307.10248	-35.0370	0.43	[M-2(H2O)+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				N 0	S 0	19