ピーク情報

トマト Micro-Tom 花

pos

Peak #11456 MN MID: SE203_S31_M90

m/z: 579.38957, RT: 65.35, 強度: 9725, ログ強度: 0.33, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (11 names) Fungicide K 99-5278C;K 99-5278C;Takanawaene C;FD 891;Asparagoside A;DG(10:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0);(5Z,7E)-(1S,3R)-1,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-3-glycoside;DG(20...

DBごとのヒット数: ALL 8 KG 1 KN 3 HM 3 LM 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
C33H54O8	578.38187	0.729	Fungicide K 99-5278C	KNApSAcK: C00014922
C33H54O8	578.38187	0.729	(22R,24R,25S,26S))-2beta,3beta,14alpha,20R-33-pentahydroxy-26alpha-butoxy-6-oxo-stigmast-7-ene-22,26-lactone	LipidMAPS: LMST01040282
C33H54O8	578.38187	0.729	(22R,25R,28R,32R)-2beta,3beta,14alpha,20R-33-pentahydroxy-25-ethyl-28beta-(1-hydroxybutan-2-yl)-6-oxo-5beta-cholest-7-ene-27,29-dioxocan	LipidMAPS: LMST01010489
C33H54O8	578.38187	0.729	FD 891	KNApSAcK: C00016689
C33H54O8	578.38187	0.729	DG(10:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)	HMDB: HMDB0294545
C33H54O8	578.38187	0.729	Asparagoside A	HMDB: HMDB0030046 KEGG: C08886, C17074 KNApSAcK: C00003563, C00053949 LipidMAPS: LMST01080008
C33H54O8	578.38187	0.729	DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/10:0/0:0)	HMDB: HMDB0294546
C33H54O8	578.38187	0.729	(5Z,7E)-(1S,3R)-1,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-3-glycoside	LipidMAPS: LMST03020611
C33H54O8	578.38187	0.729	DG(10:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))	HMDB: HMDB0294547, HMDB0294548
C33H54O8	578.38187	0.729	Deacetyltomentoside I	KNApSAcK: C00043442

MSnスペクトル情報

Level: 2, プリカーサーm/z: 579.38922

Splash: splash10-03di-0030390000-fe7ceb0afb3bf5f92e22

m/z	Int.	NL	Rel.Int.
560.53	7397	19	1000
417.31	4294	162	580
561.52	2870	18	387
273.23	2651	306	358
255.22	1240	324	167

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(1(O-p-Coumaroyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-p-coumarate
[Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH)	Flavone	Violanthin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH)	Flavone	Isoviolanthin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Chinovosyl))-B(1OH)	Flavone	Violarvensin
[Flavone]-A(2OH, 2(C-Rhamnosyl))-B(2OH)	Flavone	6,8-Di-C-rhamnopyranosylluteolin

Level: 3, プリカーサーm/z: 417.33557

Splash: splash10-00di-0090000000-224b1e181e4f103929dd

m/z	Int.	NL	Rel.Int.
273.20	2195	144	1000
255.28	153	162	69

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Munetone
[Flavone]-A(1OH, 1(C-Glu))-B(1OH)	Flavone	Bayin
[Flavone]-A(2OH, 1(C-Glu))-B(none)	Flavone	Chrysin 6-C-beta-D-glucopyranoside
[Flavone]-A(2OH, 1(C-Glu))-B(none)	Flavone	Chrysin 8-C-beta-D-glucopyranoside
[Isoflavone]-A(1OH, 1(C-Glu))-B(1OH)	Isoflavone	8-Glucosyldaidzein
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH)	Flavone	Isomolludistin
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH)	Flavone	Molludistin
[Flavone]-A(2OH, 1(C-Rhamnosyl))-B(1OH)	Flavone	Isofurcatain
[Flavone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	Eupalestin
[Flavonol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OH)	Flavonol	Calomelanol D
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1(3-hydroxy-3-methylbutyl))	Flavonol	Aliarin
[Flavonol]-A(1OH, 2OMe)-B(1OH, 1(4-hydroxy-3-methylbutyl))	Flavonol	3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
[Flavonol (3-OMe)]-A(4OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Melibentin
[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Flavonol	Melicophyllin
[6-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe)-C(1(O-Acetyl))	6-Hydroxyrotenone	Dihydrostemonal 6-O-acetate
[4-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Tiglyl)-B(none)	4-phenylcoumarin	Apetalolide

Level: 3, プリカーサーm/z: 560.53394

Splash: splash10-052b-0179000000-b22359b7b60fa71dd859

m/z	Int.	NL	Rel.Int.
398.46	490	162	1000
255.22	438	305	893
399.54	128	161	260
560.62	72	-0	146
256.33	64	304	131
273.16	56	287	115
161.03	52	400	106
381.42	46	179	93
380.36	37	180	75
159.13	27	401	54
435.40	25	125	50

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MSnスペクトル情報

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