ピーク情報

ヒメツリガネゴケ　茎葉体（ガメトフォア）

pos

Peak #1023 MN MID: SE205_S04_M90

m/z: 356.11854, RT: 13.18, 強度: 9901, ログ強度: 0.58, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (3 names) (5R)-5-[(1S)-1,2-Dihydroxyethyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolane-2,4-dione;L-Ascorbic acid 2-glucoside;inosine pyruvate

DBごとのヒット数: ALL 3 KG 1 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.071

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
C12H18O11	338.08491	-0.575	(5R)-5-[(1S)-1,2-Dihydroxyethyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolane-2,4-dione	HMDB: HMDB0260164
C12H18O11	338.08491	-0.575	L-Ascorbic acid-2-glucoside	HMDB: HMDB0253873 KEGG: C18339 KNApSAcK: C00054045
C13H14O7N4	338.08625	-4.531	inosine pyruvate	HMDB: HMDB0253490

MSnスペクトル情報

Level: 2, プリカーサーm/z: 356.11859

Splash: splash10-002r-0409000000-3ca5b0353bdb4d073b0d

m/z	Int.	NL	Rel.Int.
338.99	2179	17	1000
176.99	1797	179	824
338.28	1124	18	516

Level: 3, プリカーサーm/z: 176.97488

Splash: splash10-0006-0900000000-88020b2f856a2ca7098c

m/z	Int.	NL	Rel.Int.
140.98	152	36	1000
158.96	20	18	132
95.01	11	82	71
128.95	9	48	61

Level: 3, プリカーサーm/z: 338.86014

Splash: splash10-096r-0898000000-956a479f6820592f5475

m/z	Int.	NL	Rel.Int.
162.97	13	176	1000
309.92	10	29	751
320.41	9	18	671
267.06	8	72	650
248.84	7	90	524
251.04	5	88	354
161.07	3	178	217
176.77	3	162	196

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-8-prenylflavone
0.071	[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-6-prenylflavone
0.050	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2'-Hydroxychalcone	3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone
0.043	[Flavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavone	Yinyanghuo D
0.043	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	5,7,4'-Trihydroxy-6-prenylflavone
0.043	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	Licoflavone C
0.042	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Wighteone
0.042	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Lupiwighteone
0.042	[Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Isowighteone
0.000	[Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Chalcone	Licochalcone C
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Citflavanone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Paratocarpin K
0.000	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Methoxy-7-hydroxy-8-C-prenylflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Tephrinone
0.000	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Hydroxy-7-methoxy-6-C-prenylflavanone
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	4'-Hydroxyisoderricin
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachinin
0.000	[2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Mallotus A
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyderricin
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Bavachalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isoxanthohumol(Helichrysum)
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone
0.000	[Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl))	Pterocarpan	Sandwicensin
0.000	[Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Auronol	Castillene D
0.000	[Chalcone]-A(1OH)-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Chalcone	Licochalcone A
0.000	[Chalcone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Chalcone	5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Ovalitenone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin B
0.000	[Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Dihydrochalcone	Crotaramin
0.000	[Flavanone]-A(1OMe, 1(2-Hydroxy-1,1-dimethylallyl))-B(none)	Flavanone	Falciformin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none)	Flavanone	6-C-Prenyl-8-C-methylpinocembrin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none)	Flavanone	5,7-Dihydroxy-6-methyl-8-prenylflavanone
0.000	[Flavanone]-A(2OH, 1(4-Oxoprenyl))-B(none)	Flavanone	5,7-Dihydroxy-8-C-(4-oxoprenyl)flavanone
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	Flavonol	8-(1,1-Dimethylallyl)galangin
0.000	[Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flavan 4-ol	Hildgardtol A
0.000	[Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 4-ol	Hildgardtol B
0.000	[Flavan]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan	5,7-Dimethoxy-8-prenylflavan
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin	5-Carboxypyranopelargonidin
0.000	[Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Psoralenol
0.000	[Isoflavone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Isoflavone	6-(1,1-Dimethylallyl)genistein
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Isoflavone	Crotalarin
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavanone	Neotenone
0.000	[Isoflavan]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	2'-O-Methylphaseollinisoflavan
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavan	4'-O-Methylglabridin
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Ficinin
0.000	[Pterocarpan]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Pterocarpan	Apiocarpin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin III
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin I
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin II
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan-6a-ol	Tuberosin
0.000	[2-Phenylbenzofuran]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2-Phenylbenzofuran	Neoraufurane

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
	13.17	377.04783	20.9293	1.16	[M+K]+	(3 names) (5R)-5-[(1S)-1,2-Dihydroxyethyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolane-2,4-dione; L-Ascorbic acid 2-glucoside; inosine pyruvate	ALL 3 KG 1 HM 2				16
1023	13.18	356.11854	0.0000	0.58	[M+NH4]+	(3 names) (5R)-5-[(1S)-1,2-Dihydroxyethyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolane-2,4-dione; L-Ascorbic acid 2-glucoside; inosine pyruvate	ALL 3 KG 1 HM 2	MS2 MS3 x 2		0.071	7
	13.17	339.09199	-17.0266	0.96	[M+H]+	(3 names) (5R)-5-[(1S)-1,2-Dihydroxyethyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolane-2,4-dione; L-Ascorbic acid 2-glucoside; inosine pyruvate	ALL 3 KG 1 HM 2	MS2 MS3 x 2	0.077		15

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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