ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #8454 MN MID: SE205_S08_M90

m/z: 497.31101, RT: 79.98, 強度: 36340, ログ強度: 0.96, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 15

DB検索結果: (2 names) Daechuine S7;(-)-Daechuine S7

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.036

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
C27H46O9	514.31418	0.233	1-(9Z,12Z,15Z-octadecatrienoy)l-3-O-beta-D-galactosyl)-sn-glycerol	LipidMAPS: LMGL04010022
C28H42O5N4	514.31552	-2.367	Daechuine S7	KNApSAcK: C00028129

Level: 2, プリカーサーm/z: 497.31094

Splash: splash10-01ri-0019500000-efdfed6a7fb819b411fb

m/z	Int.	NL	Rel.Int.
335.25	4977	162	1000
479.28	2498	18	501
443.34	1926	54	386
461.36	1728	36	347
369.35	1140	128	228
351.23	1072	146	215
261.31	962	236	193
405.28	693	92	139
333.24	508	164	102
377.31	503	120	101
243.23	494	254	99
317.34	459	180	92
303.24	453	194	91
327.23	432	170	86
387.19	426	110	85
363.34	417	134	83
158.98	390	338	78
173.01	385	324	77
341.27	353	156	70
345.27	344	152	69

Level: 3, プリカーサーm/z: 479.29678

Splash: splash10-01ox-0025900000-c316dddd07a7f7d78d84

m/z	Int.	NL	Rel.Int.
461.23	414	18	1000
443.29	320	36	771
243.26	83	236	201
369.23	74	110	179
353.48	64	126	153
303.30	61	176	146
351.26	53	128	128
405.24	52	74	126
341.32	50	138	121
333.25	49	146	119
387.13	47	92	112
419.24	43	60	102
259.16	42	220	101
265.04	41	214	99
183.04	40	296	96
309.38	40	170	96
389.30	39	90	94
261.18	37	218	89
221.13	37	258	89
357.41	37	122	88

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavonol	Keyakinin B
0.000	[Dihydrochalcone]-A(3OH)-B(1OH, 1(C-Prenyl), 1Geranyl)	Dihydrochalcone	3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone
0.000	[Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(3OH)	Flavonol	8-C-Rhamnosyleuropetin

Level: 3, プリカーサーm/z: 335.27924

Splash: splash10-03di-0941000000-a7ef52a558d4cfdf6a72

m/z	Int.	NL	Rel.Int.
261.17	275	74	1000
243.29	204	92	740
317.34	183	18	667
161.15	159	174	579
277.27	129	58	469
173.12	126	162	459
109.07	117	226	425
133.01	98	202	355
149.06	91	186	330
162.83	91	172	329
118.88	90	216	327
135.01	87	200	315
144.96	86	190	312
104.95	74	230	268
201.17	69	134	250
159.08	66	176	241
121.03	62	214	225
147.06	54	188	196
106.71	48	229	173
116.85	46	218	168

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.086	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	Calopogoniumisoflavone A
0.086	[Flavonol]-A(4OH)-B(2OH)	Flavonol	8-Hydroxyquercetagetin
0.056	[Flavonol]-A(3OH)-B(3OH)	Flavonol	3,5,6,7,2',3',4'-Heptahydroxyflavone
0.056	[Flavonol]-A(3OH)-B(3OH)	Flavonol	Hibiscetin
0.038	[Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)	Dihydroflavonol	Diosalol
0.038	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone
0.038	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	Pallasiin
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Sophoracoumestan A
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	Isopongaflavone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Auronol]-A(2OH)-B(2OH, 1OMe)	Auronol	Amaronol B
0.000	[Dihydroflavonol]-A(2OH)-B(2OH, 1Hydroxymethyl)	Dihydroflavonol	6'-Hydroxymethyltaxifolin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(3OH)	Dihydroflavonol	Cedrin
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	Karanjachromene
0.000	[Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavan 3,4-diol	Mesquitol-4beta-ol 3,8-dimethyl ether
0.000	[Pterocarpene]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpene	3-O-Methylanhydrotuberosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydrodolineone

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
	79.94	532.34825	35.0372	1.06	[M+NH4]+	(2 names) Daechuine S7; (-)-Daechuine S7	ALL 1 KN 1	MS2 MS3 x 2	0.133	15
	79.95	515.32154	18.0105	0.44	[M+H]+	(2 names) Daechuine S7; (-)-Daechuine S7	ALL 1 KN 1	MS2 MS3		10
8454	79.98	497.31101	0.0000	0.96	[M-H2O+H]+	(2 names) Daechuine S7; (-)-Daechuine S7	ALL 1 KN 1	MS2 MS3 x 2	0.036	15