ピーク情報

ゼニゴケ　Takaragaike-1

pos

Peak #2660 MN MID: SE205_S05_M90

m/z: 637.37969, RT: 78.91, 強度: 5331, ログ強度: 0.33, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 14

DB検索結果: (2 names) 1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol;all-trans-Heptaprenyl diphosphate

DBごとのヒット数: ALL 2 KG 1 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.129

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
C31H58O14	654.38266	0.491	1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol	LipidMAPS: LMGL04010017
C35H60O7P2	654.38143	2.365	all-trans-Heptaprenyl diphosphate	HMDB: HMDB0012187 KEGG: C04216, C17436 LipidMAPS: LMPR03030006

MSnスペクトル情報

Level: 2, プリカーサーm/z: 637.37866

Splash: splash10-03di-0009500000-583f2992e61a91c5c664

m/z	Int.	NL	Rel.Int.
313.25	1579	324	1000
457.27	706	180	446
439.09	173	198	109
475.39	158	162	100

Level: 3, プリカーサーm/z: 313.25427

Splash: splash10-0a4i-4690000000-cfcc87329ce9f3b89334

m/z	Int.	NL	Rel.Int.
257.18	84	56	1000
94.88	64	218	758
239.17	49	74	576
109.03	46	204	551
96.99	20	216	241
122.92	19	190	225
148.98	15	164	178
295.15	12	18	143
151.07	12	162	142
137.14	9	176	102
103.00	8	210	96
270.96	8	42	95
221.24	6	92	69
165.13	6	148	67
138.95	5	174	60

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.129	[Isoflavone]-A(1OMe)-B(2OMe)	Isoflavone	Cabreuvin
0.053	[Coumestan]-A(1OH)-B(2OMe)	Coumestan	3-Hydroxy-8,9-dimethoxycoumestan
0.053	[Coumestan]-A(1OH)-B(2OMe)	Coumestan	Wairol
0.000	[Flavone]-A(1OMe)-B(2OMe)	Flavone	7,3',4'-Trimethoxyflavone
0.000	[Flavone]-A(1OMe)-B(2OMe)	Flavone	7,2',4'-Trimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(1OMe)	Flavone	5,6,2'-Trimethoxyflavone
0.000	[Flavone]-A(1OMe)-B(2OMe)	Flavone	6,2',3'-Trimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(1OMe)	Flavone	5,6,3'-Trimethoxyflavone
0.000	[Flavone]-A(none)-B(3OMe)	Flavone	3',4',5'-Trimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(1OMe)	Flavone	5,7,2'-Trimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(1OMe)	Flavone	Apigenin 5,7,4'-trimethyl ether
0.000	[Flavone]-A(3OMe)-B(none)	Flavone	Baicalein 5,6,7-trimethyl ether
0.000	[Flavone]-A(3OMe)-B(none)	Flavone	Norwogonin 5,7,8-trimethyl ether
0.000	[Chalcone]-A(none)-B(2OH, 1OMe, 1Formyl, 1Methyl)	Chalcone	3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone
0.000	[Chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Chalcone	3,4-Methylenedioxy-2',4'-dimethoxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none)	2'-Hydroxychalcone	Leridal chalcone
0.000	[Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(none)	Chalcone	Helilandin A
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Galiposin
0.000	[UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone]-A(1OMe, 3Methyl)-B(none)	UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone	Desmosdumotin C
0.000	[Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none)	Flavanone	Leridal
0.000	[Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none)	Flavanone	Desmosflavanone II
0.000	[Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavone	Prosogerin A
0.000	[Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavone	6-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavone	5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone
0.000	[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	Flavone	8-Demethyleucalyptin
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavone	Sideroxylin
0.000	[Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavone	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy))	Flavonol	3-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(none)	Flavonol	Galangin 3,5,7-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(none)	Flavonol	5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone
0.000	[Flavonol]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavonol	3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone
0.000	[Isoflavone]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Cuneatin
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Fujikinetin
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone E
0.000	[Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	Isoflavone	7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Betavulgarin
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Irisone A
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Irisolone
0.000	[UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OMe)-B(1OMe)	UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene	4-Deoxybryaquinone
0.000	[Pterocarpene]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
0.000	[Pterocarpene]-A(1OMe)-B(2OMe)	Pterocarpene	Bryacarpene 5
0.000	[6-Hydroxydehydrorotenone]-A(2OH, 1Methyl)-B(none)	6-Hydroxydehydrorotenone	Boeravinone B
0.000	[4-phenylcoumarin]-A(2OMe)-B(1OMe)	4-phenylcoumarin	5,7,4'-Trimethoxy-4-phenylcoumarin
0.000	[CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(1OH, 1OMe)	CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin	5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin

Level: 3, プリカーサーm/z: 457.27106

Splash: splash10-01qi-0935200000-78c5788c35914dd9f4ff

m/z	Int.	NL	Rel.Int.
182.91	74	274	1000
313.47	64	144	866
439.24	38	18	518
201.03	32	256	432
145.23	18	312	243
165.07	16	292	213
239.12	14	218	192
367.29	13	90	171
137.06	10	320	137
221.36	10	236	128
141.08	8	316	106
414.20	7	43	96
153.11	6	304	78
130.92	5	326	68
341.26	4	116	59
159.26	4	298	56
154.90	4	302	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Vanilloyl))	Flavan 3-ol	Gallocatechin 3-O-vanillate
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(3-O-methylgallate)
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(4-O-methylgallate)
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	2'-Hydroxychalcone	Kuraridinol
[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(1OH, 1OMe, 1(C-Prenyl))	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone J
[Flavanone]-A(2OH, 1(2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl))-B(2OH)	Flavanone	Kushenol Q
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH, 1OMe)	Flavanone	Kushenol P
[Flavonol]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	Flavonol	Kushenol G
[Isoflavone]-A(2OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone M

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	FS3	共有数
	78.91	693.34639	55.9667	0.27	[M+K]+	(2 names) 1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol; all-trans-Heptaprenyl diphosphate	ALL 2 KG 1 LM 1			8
	78.84	677.37263	39.9929	0.70	[M+Na]+	(2 names) 1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol; all-trans-Heptaprenyl diphosphate	ALL 2 KG 1 LM 1	MS2 MS3 x 2		8
	78.89	672.41682	35.0371	0.68	[M+NH4]+	(2 names) 1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol; all-trans-Heptaprenyl diphosphate	ALL 2 KG 1 LM 1			17
	78.89	655.39018	18.0105	0.69	[M+H]+	(2 names) 1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol; all-trans-Heptaprenyl diphosphate	ALL 2 KG 1 LM 1			17
2660	78.91	637.37969	0.0000	0.33	[M-H2O+H]+	(2 names) 1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol; all-trans-Heptaprenyl diphosphate	ALL 2 KG 1 LM 1	MS2 MS3 x 2	0.129	14

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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