ピーク情報

パセリ　根

pos

Peak #8321 MN MID: SE61_S24_M90

m/z: 637.37939, RT: 79.16, 強度: 4916, ログ強度: 0.20, 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: 0.121

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	0.040	1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol	LipidMAPS: LMGL04010017
C35H60O7P2	654.38143	1.914	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: 637.37860

Splash: splash10-08fr-0009701000-f4961d528862d4423527

m/z	Int.	NL	Rel.Int.
313.39	1084	324	1000
457.37	545	180	502
619.41	131	18	121
439.36	124	198	114
475.33	118	162	109
618.52	93	19	85
427.39	69	210	63

Level: 3, プリカーサーm/z: 457.37244

Splash: splash10-01q9-0849300000-61b0127ff0a178266d99

m/z	Int.	NL	Rel.Int.
183.09	75	274	1000
313.42	35	144	469
200.94	30	256	394
439.32	29	18	382
367.39	13	90	176
341.56	11	116	145
360.71	9	97	122
238.87	8	219	109
383.54	5	74	68
382.86	4	75	55
421.08	4	36	53

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

Level: 3, プリカーサーm/z: 313.39209

Splash: splash10-0a4r-2980000000-824fda429f4f4d68ad6b

m/z	Int.	NL	Rel.Int.
257.27	64	56	1000
137.04	25	176	386
109.10	23	204	353
239.14	20	74	304
123.23	19	190	293
95.10	14	218	218
221.32	12	92	192
97.15	10	216	150
125.21	8	188	131
110.94	7	202	111
126.78	6	187	96
139.14	4	174	68
103.10	4	210	64
238.28	4	75	62
134.87	4	179	55
159.21	4	154	55
295.43	3	18	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.121	[Isoflavone]-A(1OMe)-B(2OMe)	Isoflavone	Cabreuvin
0.048	[Coumestan]-A(1OH)-B(2OMe)	Coumestan	3-Hydroxy-8,9-dimethoxycoumestan
0.048	[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

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
	79.18	677.37207	39.9927	-0.14	[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		8
	79.16	672.41606	35.0367	0.59	[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
	79.17	655.38992	18.0105	0.92	[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
8321	79.16	637.37939	0.0000	0.20	[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	0.121	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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FlavonoidSearch結果

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