ピーク情報

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pos

Peak #7851 MN MID: SE61_S21_M90

m/z: 617.18697, RT: 55.93, 強度: 2273210, ログ強度: 2.77, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (11 names) 4-Methylumbelliferyl beta-D-xylopyranoside;Allamandicin;Dihydrofusarubin; rel-(3R,4aR,10aR)-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-7-methoxy-3-methyl-3,6,9-trihydroxy-1H-naphthol[2,3-c]pyran;(1R)-2-Oxo-...

DBごとのヒット数: ALL 8 KG 1 KN 4 HM 3

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
C15H16O7	308.08960	0.796	4-Methylumbelliferyl beta-D-xylopyranoside	HMDB: HMDB0247186
C15H16O7	308.08960	0.796	Allamandicin	KNApSAcK: C00010731
C15H16O7	308.08960	0.796	Dihydrofusarubin	KNApSAcK: C00023702
C15H16O7	308.08960	0.796	(1R)-2-Oxo-3,4-dehydroneomajucin	KNApSAcK: C00045145, C00045146
C15H16O7	308.08960	0.796	Allamandin	KEGG: C09766 KNApSAcK: C00003069
C15H16O7	308.08960	0.796	Mikamicranolide	KNApSAcK: C00043724
C15H16O7	308.08960	0.796	4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)	HMDB: HMDB0040692
C16H12O3N4	308.09094	-3.545	2-Ethoxy-6(5-tetrazolyl)xanthone	HMDB: HMDB0247563

MSnスペクトル情報

Level: 2, プリカーサーm/z: 617.18604

Splash: splash10-00di-0000921000-6e49676c68cf8af9126e

m/z	Int.	NL	Rel.Int.
471.36	1710	146	1000
599.35	733	18	428
600.39	368	17	215
453.39	349	164	204
489.36	272	128	158
273.99	123	343	71
299.22	119	318	69
386.24	111	231	65
464.28	94	153	54

Level: 3, プリカーサーm/z: 471.35645

Splash: splash10-0udi-0030900000-629a0609f5e7eefdf8d4

m/z	Int.	NL	Rel.Int.
453.36	771	18	1000
299.24	164	172	213
285.28	160	186	207

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1([2,3:@@]-(5-Oxo-4-(1-Hydroxy-3-phenylallylidene)-4,5-dihydrofurano)))-B(none)	2'-Hydroxychalcone	Didymocalyxin B

Level: 3, プリカーサーm/z: 599.35138

Splash: splash10-001i-0010090000-8560d1a3a0ce15004d5b

m/z	Int.	NL	Rel.Int.
581.37	249	18	1000
285.05	29	314	115
555.36	23	44	90
537.49	23	62	90
240.99	16	358	63
553.40	15	46	59
269.26	13	330	52
563.04	13	36	51

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroperoxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	2'-Hydroxychalcone	Calyxin A
0.000	[Dihydrochalcone]-A(3OH, 2(C-Glu))-B(1OH)	Dihydrochalcone	Phloretin 3',5'-Di-C-glucoside

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	共有数
	55.92	634.21336	17.0264	2.07	[2M+NH4]+	(11 names) 4-Methylumbelliferyl beta-D-xylopyranoside; Allamandicin; Dihydrofusarubin; rel-(3R,4aR,10aR)-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-7-methoxy-3-methyl-3,6,9-trihydroxy-1H-naphthol[2,3-c]pyran; (1R)-2-Oxo-...	ALL 8 KG 1 KN 4 HM 3	MS2 MS3			2
7851	55.93	617.18697	0.0000	2.77	[2M+H]+	(11 names) 4-Methylumbelliferyl beta-D-xylopyranoside; Allamandicin; Dihydrofusarubin; rel-(3R,4aR,10aR)-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-7-methoxy-3-methyl-3,6,9-trihydroxy-1H-naphthol[2,3-c]pyran; (1R)-2-Oxo-...	ALL 8 KG 1 KN 4 HM 3	MS2 MS3 x 2			3

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