ピーク情報

いちじく生

pos

Peak #2768 MN MID: SE122_S070151_M90

m/z: 457.17044, RT: 47.43, 強度: 9348, ログ強度: 0.57, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 17

DB検索結果: (5 names) Coelovirin A;(-)-Coelovirin A;Coelovirin B;(-)-Coelovirin B;6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside

DBごとのヒット数: ALL 3 KN 2 HM 1

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
C21H30O12	474.17373	0.011	Coelovirin A	KNApSAcK: C00038819
C21H30O12	474.17373	0.011	Coelovirin B	KNApSAcK: C00038820
C21H30O12	474.17373	0.011	6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside	HMDB: HMDB0036214

Level: 2, プリカーサーm/z: 457.16956

Splash: splash10-02ar-0194200000-518e8f988eedb270c7ff

m/z	Int.	NL	Rel.Int.
281.17	3533	176	1000
263.19	2123	194	600
365.15	2074	92	587
439.24	1580	18	447
253.17	1050	204	297
189.01	765	268	216
337.20	637	120	180
421.28	589	36	166
161.06	584	296	165
347.18	494	110	139
207.04	352	250	99
319.19	206	138	58

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: 263.18820

Splash: splash10-03dr-0910000000-f1fe395a9c65baa905f5

m/z	Int.	NL	Rel.Int.
161.08	805	102	1000
189.02	407	74	505
207.15	119	56	147
235.12	98	28	121
133.08	84	130	104
104.85	44	158	54

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Aurone]-A(1([2,3:@@]-Furano))-B(none)	Aurone	Furano[2'',3'':6,7]aurone

Level: 3, プリカーサーm/z: 281.16928

Splash: splash10-03di-0960000000-19d5f506d6b69e42e4f9

m/z	Int.	NL	Rel.Int.
161.07	583	120	1000
253.04	416	28	712
189.02	295	92	506
263.10	195	18	335
207.05	187	74	321
143.06	163	138	279
163.08	83	118	142
235.03	74	46	127
133.01	66	148	112
179.05	63	102	108

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH)	Pterocarpan	Neodunol

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	共有数
	47.43	492.20762	35.0372	0.21	[M+CH5N-H2O+Na]+, [M+NH4]+				11
	47.43	475.18079	18.0103	1.19	[M+H]+	(5 names) Coelovirin A; (-)-Coelovirin A; Coelovirin B; (-)-Coelovirin B; 6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside	ALL 3 KN 2 HM 1		24
2768	47.43	457.17044	0.0000	0.57	[M-H2O+H]+	(5 names) Coelovirin A; (-)-Coelovirin A; Coelovirin B; (-)-Coelovirin B; 6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside	ALL 3 KN 2 HM 1	MS2 MS3 x 2	17