ピーク情報

イヌカタヒバ

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Peak #8805 MN MID: SE205_S02_M90

m/z: 637.38003, RT: 78.89, 強度: 40178, ログ強度: 1.08, 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: 0.094

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	1.010	1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol	LipidMAPS: LMGL04010017
C35H60O7P2	654.38143	2.884	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: 637.37897

Splash: splash10-08fr-0009800000-1be9f529f2be72015c4b

m/z	Int.	NL	Rel.Int.
313.35	6131	324	1000
457.35	3793	180	618
475.19	934	162	152
439.18	837	198	136

Level: 3, プリカーサーm/z: 313.34821

Splash: splash10-0a4j-6890000000-d31286d7aa9c54994aac

m/z	Int.	NL	Rel.Int.
257.28	323	56	1000
95.01	278	218	859
109.03	188	204	580
239.11	138	74	425
122.96	119	190	367
136.95	84	176	260
96.96	74	216	229
221.22	41	92	127
125.21	30	188	93
103.06	30	210	91
111.01	28	202	87
151.18	21	162	65
139.00	21	174	64
219.33	20	94	62
98.75	17	215	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.094	[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: 457.35071

Splash: splash10-0gwr-0898700000-4b5db24f3c47975c1017

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

m/z	Int.	NL	Rel.Int.
439.37	220	18	1000
183.09	219	274	997
200.91	210	256	954
313.23	205	144	932
238.99	90	218	411
421.43	60	36	272
144.84	53	313	239
367.28	46	90	208
257.17	43	200	198
355.16	30	102	136
154.99	27	302	125
397.44	18	60	83
137.14	15	320	68
341.18	15	116	67
409.43	14	48	62

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
	78.89	655.39047	18.0104	1.49	[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
8805	78.89	637.38003	0.0000	1.08	[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		0.094	14

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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