ピーク情報

リーフレタスグリーン

pos

Peak #784 MN MID: SE198_S12_M90

m/z: 381.07909, RT: 13.03, 強度: 840566, ログ強度: 2.43, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 21

DB検索結果: (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;...

DBごとのヒット数: ALL 23 KG 15 KN 4 HM 4

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
C12H22O11	342.11621	-0.807	Lactulose	HMDB: HMDB0000740 KEGG: C07064
C12H22O11	342.11621	-0.807	Sakebiose	HMDB: HMDB0006603, HMDB0259415 KNApSAcK: C00050493
C12H22O11	342.11621	-0.807	Inulobiose	HMDB: HMDB0029898, HMDB0304763 KEGG: C01711
C12H22O11	342.11621	-0.807	Trehalose	HMDB: HMDB0000975, HMDB0029880 KEGG: C01083 KNApSAcK: C00001152
C12H22O11	342.11621	-0.807	Gentiobiose	HMDB: HMDB0259486 KNApSAcK: C00018660, C00053253
C12H22O11	342.11621	-0.807	Turanose	HMDB: HMDB0011740, HMDB0260157 KEGG: C19636 KNApSAcK: C00053105
C12H22O11	342.11621	-0.807	Melibiulose	HMDB: HMDB0247101 KEGG: C19634 KNApSAcK: C00053368
C12H22O11	342.11621	-0.807	Nigerose	HMDB: HMDB0029882, HMDB0060068, HMDB0242694 KEGG: C01518, C02048, C04147, C19773, C22512 KNApSAcK: C00001137
C12H22O11	342.11621	-0.807	beta-Lactose	HMDB: HMDB0000055, HMDB0000163, HMDB0000186, HMDB0029902, HMDB0029933, HMDB0033368, HMDB0037138, HMDB0041627, HMDB0246552 KEGG: C01970, C01971, C06422, C20861, C00185, C00208, C00897, C02964, C00243, C06421, C20236, C22492 KNApSAcK: C00001134, C00001136, C00001140, C00050427
C12H22O11	342.11621	-0.807	Melibiose	HMDB: HMDB0000048, HMDB0002923, HMDB0006792, HMDB0038489, HMDB0248216 KEGG: C00252, C01728, C05402, C08240, C05400 KNApSAcK: C00001142
C12H22O11	342.11621	-0.807	Sophorose	HMDB: HMDB0252573 KEGG: C08250, C15548, C22632, C21336 KNApSAcK: C00001149
C12H22O11	342.11621	-0.807	Trehalulose	HMDB: HMDB0039727
C12H22O11	342.11621	-0.807	Kojibiose	HMDB: HMDB0011742 KEGG: C19632 KNApSAcK: C00050477
C12H22O11	342.11621	-0.807	Sucrose	HMDB: HMDB0000258, HMDB0246276 KEGG: C00089, C18068, C04219 KNApSAcK: C00001151
C12H22O11	342.11621	-0.807	Maltulose	KEGG: C19633
C12H22O11	342.11621	-0.807	beta-D-Galf-(1->5)-beta-D-galactofuranoside	KEGG: C22958
C12H22O11	342.11621	-0.807	(3S,4R,5S)-3,4,5,6-Tetrahydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one	HMDB: HMDB0260158
C12H22O11	342.11621	-0.807	Palatinose	HMDB: HMDB0256083 KEGG: C01742
C12H22O11	342.11621	-0.807	4-O-beta-D-Mannopyranosyl-D-mannose	HMDB: HMDB0242553 KNApSAcK: C00053459
C12H22O11	342.11621	-0.807	Difructan	KNApSAcK: C00055102
C12H22O11	342.11621	-0.807	Galactinol	HMDB: HMDB0005826, HMDB0039876 KEGG: C01235 KNApSAcK: C00001162, C00038295
C12H22O11	342.11621	-0.807	Levanbiose	KEGG: C01725
C12H22O11	342.11621	-0.807	Glucinol	HMDB: HMDB0039237
C12H22O11	342.11621	-0.807	Maltulose	HMDB: HMDB0029919

MSnスペクトル情報

Level: 2, プリカーサーm/z: 381.07877

Splash: splash10-0gb9-0090000000-b0ccc2619f9e6ea09a85

m/z	Int.	NL	Rel.Int.
218.97	9389	162	1000
200.97	7727	180	822

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(2OMe, 1(C-Prenyl))-B(1OH)	Coumestan	1-O-Methylglycyrol
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Glabrachromene I
[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	7-Methoxypraecansone B
[beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(none)-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	beta-Hydroxy(or Oxodihydro)chalcone	Praecanson A
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Ovalichromene A
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-Furano))	Flavanone	Abyssinoflavanone IV
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Isoglabrachromene
[Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Multijuginol
[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Muxiangrin II
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3,5-dimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OMe)	Flavonol	Vellokaempferol 3,4'-dimethyl ether
[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Predurmillone
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Robustic acid

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	7.1023	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	3.0711	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
784	13.03	381.07909	0.0000	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	-18.0103	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	-18.0103	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	-37.9557	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
	13.04	342.13947	-38.9396	0.65	[M-H2O+NH4]+	(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	22
	12.58	342.13945	-38.9396	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	-55.9666	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	-73.9766	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

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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