ピーク情報

イチョウ　葉

pos

Peak #10083 MN MID: SE205_S01_M90

m/z: 517.35286, RT: 83.54, 強度: 91721, ログ強度: 1.42, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (11 names) Laccijalaric ester I;Pokeberrygenin;22-Acetoxy-15-deoxo-eucosterol;(-)-22-Acetoxy-15-deoxo-eucosterol;Phytolaccinic acid;Fusidic acid;Holstinone C;Lycernuic ketone A;Nanjiol B;(+)-Nanjiol B;(+)-Methyl...

DBごとのヒット数: ALL 9 KG 1 KN 6 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C31H48O6	516.34509	0.966	25-(3hydroxybutanoyl)-2alpha,3alpha-dihydroxy-cholest-4,7-dien-6-one	LipidMAPS: LMST01010548
C31H48O6	516.34509	0.966	Laccijalaric ester I	KNApSAcK: C00021738
C31H48O6	516.34509	0.966	2beta,3beta-diacetoxy-22R-hydroxy-5alpha-cholest-7-en-6-one	LipidMAPS: LMST01010616
C31H48O6	516.34509	0.966	Pokeberrygenin	HMDB: HMDB0034653
C31H48O6	516.34509	0.966	Phytolaccinic acid	HMDB: HMDB0034640
C31H48O6	516.34509	0.966	22-Acetoxy-15-deoxo-eucosterol	KNApSAcK: C00049073
C31H48O6	516.34509	0.966	Fusidic acid	HMDB: HMDB0015570, HMDB0260210 KEGG: C06694 KNApSAcK: C00023900, C00023903 LipidMAPS: LMPR0106040001
C31H48O6	516.34509	0.966	Lycernuic ketone A	KNApSAcK: C00051359, C00051360
C31H48O6	516.34509	0.966	Holstinone C	KNApSAcK: C00039379, C00039380
C31H48O6	516.34509	0.966	Nanjiol B	KNApSAcK: C00046188
C31H48O6	516.34509	0.966	(+)-Methyl ganolucidate B	KNApSAcK: C00024064

MSnスペクトル情報

Level: 2, プリカーサーm/z: 517.35242

Splash: splash10-01ot-0350900000-bd3d1732b4f0bfd389e3

m/z	Int.	NL	Rel.Int.
499.41	9278	18	1000
211.16	4923	306	530
193.12	3316	324	357
425.46	1631	92	175
267.16	1360	250	146
175.10	1173	342	126
407.45	1112	110	119
307.31	787	210	84
443.40	758	74	81
215.27	695	302	74
481.46	678	36	73
285.27	568	232	61

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(1OH)	2'-Hydroxychalcone	Gemichalcone A
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(none)	2'-Hydroxychalcone	Rottlerin
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-(2'''-methylbutyryl)
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(1OH)	Flavone	2'',6''-Di-O-Acetylisovitexin
[Dihydroflavonol]-A(2OH, 2(p-Hydroxybenzyl) )-B(2OH)	Dihydroflavonol	Gericudranin A

Level: 3, プリカーサーm/z: 211.16409

Splash: splash10-0006-0900000000-f502b1afa413bc9f0650

m/z	Int.	NL	Rel.Int.
193.02	2680	18	1000
175.05	361	36	134

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Dihydrochalcone]-A(none)-B(none)	Dihydrochalcone	Dihydrochalcone

Level: 3, プリカーサーm/z: 499.41461

Splash: splash10-0aec-0112900000-ad6abf2a6c62f320d5b2

m/z	Int.	NL	Rel.Int.
407.43	886	92	1000
443.48	746	56	841
425.49	571	74	644
481.28	464	18	523
273.22	435	226	490
389.36	348	110	392
445.47	263	54	297
171.10	187	328	211
463.37	158	36	178
313.42	107	186	120
337.51	89	162	100
189.00	89	310	100
307.25	86	192	97
329.41	84	170	95
433.55	82	66	92
158.98	80	340	90
365.39	78	134	88
399.33	75	100	85
255.08	70	244	79
351.23	68	148	76

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone	Artonol D
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<5-(3,4-Dihydroxyphenyl)-3-hydroxypentanoyl>))	Flavan 3-ol	Phylloflavan

関連ピーク情報

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
10083	83.54	517.35286	0.0000	1.42	[M+H]+	(11 names) Laccijalaric ester I; Pokeberrygenin; 22-Acetoxy-15-deoxo-eucosterol; (-)-22-Acetoxy-15-deoxo-eucosterol; Phytolaccinic acid; Fusidic acid; Holstinone C; Lycernuic ketone A; Nanjiol B; (+)-Nanjiol B; (+)-Methyl...	ALL 9 KG 1 KN 6 HM 2	MS2 MS3 x 2			5
	83.55	499.34214	-18.0107	-0.12	[M-H2O+H]+	(11 names) Laccijalaric ester I; Pokeberrygenin; 22-Acetoxy-15-deoxo-eucosterol; (-)-22-Acetoxy-15-deoxo-eucosterol; Phytolaccinic acid; Fusidic acid; Holstinone C; Lycernuic ketone A; Nanjiol B; (+)-Nanjiol B; (+)-Methyl...	ALL 9 KG 1 KN 6 HM 2				2

ピーク情報

DB検索結果

MSnスペクトル情報

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