ピーク情報

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pos

Peak #1401 MN MID: SE113_S050181_M90

m/z: 466.19140, RT: 31.44, 強度: 5000, ログ強度: 0.32, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (2 names) Cisapride;(Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]-N-methylsulfonylhept-5-enamide

DBごとのヒット数: ALL 2 KG 1 HM 1

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
C23H29O4N3ClF	465.18306	2.288	Cisapride	HMDB: HMDB0014742 KEGG: C06910
C23H31O7NS	465.18212	4.307	(Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]-N-methylsulfonylhept-5-enamide	HMDB: HMDB0247124

Level: 2, プリカーサーm/z: 466.19064

Splash: splash10-00lr-0060900000-6e4ef393a243176b0e0d

m/z	Int.	NL	Rel.Int.
430.85	1104	35	1000
268.72	891	197	807
430.08	345	36	312
267.96	247	198	223
448.94	202	17	182
448.14	178	18	161
267.19	75	199	67
286.63	75	180	67
324.95	56	141	50

Level: 3, プリカーサーm/z: 268.71613

Splash: splash10-03di-0000090000-26dc1779f54e7e5cd978

m/z	Int.	NL	Rel.Int.
514.78	17	-246	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OMe)-B(1OH)	Flavone	Isopratol
[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Trigraecum
[Flavone]-A(1OH)-B(1OMe)	Flavone	5-Hydroxy-2'-methoxyflavone
[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	5-Hydroxy-6-methoxyflavone
[Flavone]-A(1OH)-B(1OMe)	Flavone	6-Hydroxy-4'-methoxyflavone
[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Tectochrysin
[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Formononetin
[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Pallidiflorin
[Isoflavone]-A(1OMe)-B(1OH)	Isoflavone	Isoformononetin
[Isoflavone]-A(1OH, 1OMe)-B(none)	Isoflavone	5-Hydroxy-7-methoxyisoflavone
[Coumestan]-A(1OH)-B(1OH)	Coumestan	Coumestrol
[Flavonol]-A(none)-B(1OMe)	Flavonol	3-Hydroxy-4'-methoxyflavone
[Aurone]-A(1OH, 1Methyl)-B(1OH)	Aurone	6,4'-Dihydroxy-7-methylaurone
[Flavanone]-A(1OH, 2Methyl)-B(none)	Flavanone	7-Hydroxy-6,8-di-C-methylflavanone
[Flavone]-A(2OH, 1Methyl)-B(none)	Flavone	Strobochrysin
[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Dalbergin
[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Isodalbergin

Level: 3, プリカーサーm/z: 430.84830

Splash: splash10-0a4i-0900200700-37a1e008c51985ce5493

m/z	Int.	NL	Rel.Int.
157.93	10	273	1000
757.33	6	-326	595
731.47	4	-301	365
402.00	3	29	259
179.32	2	252	160

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none)	Flavone	Kaplanin
[Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe)	Isoflavone	Puerarin 4'-methyl ether
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	Isomollupentin 7,4'-dimethyl ether
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	7,4'-Di-O-Methylisomollupentin
[Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH)	Flavone	8-C-Rhamnosylgenkwanin
[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH)	Flavone	Derhamnosylmaysin
[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH)	Flavone	6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin
[Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe)	Flavone	Alternanthin
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl))	Flavonol	Aliarin 4'-methyl ether
[Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl))	Flavonol	3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>))	Flavan 3-ol	Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)