ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #4972 MN MID: SE199_S21_M90

m/z: 637.37997, RT: 81.00, 強度: 6339, ログ強度: 0.40, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 7

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	0.926	1-hexadecanoyl-3-O-(6'-O-alpha-D-galactosyl-beta-D-galactosyl)-sn-glycerol	LipidMAPS: LMGL04010017
C35H60O7P2	654.38143	2.800	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: 637.37909

Splash: splash10-08fr-0009600000-6b93259d62900f6c5658

m/z	Int.	NL	Rel.Int.
313.27	835	324	1000
457.24	450	180	538
439.04	80	198	95
475.35	71	162	84
474.71	43	163	51

Level: 3, プリカーサーm/z: 313.27423

Splash: splash10-0a4i-4790000000-7577979dc348ad5908a2

m/z	Int.	NL	Rel.Int.
257.20	55	56	1000
95.09	18	218	334
109.09	16	204	294
137.15	15	176	281
123.13	15	190	279
239.37	13	74	245
97.18	12	216	220
103.18	8	210	149
219.17	6	94	110
201.19	5	112	96
165.36	4	148	80
97.91	4	215	68
159.21	3	154	58
187.21	3	126	52
98.96	3	214	50

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

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
	81.04	693.34647	55.9665	0.26	[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			10
	81.00	677.37263	39.9927	0.79	[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		10
	81.00	672.41675	35.0368	1.53	[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	MS2		19
	80.99	655.39025	18.0103	1.31	[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			16
4972	81.00	637.37997	0.0000	0.40	[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	0.094	7

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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