ピーク情報

ヒメツリガネゴケ　原糸体（プロトネマ）

pos

Peak #984 MN MID: SE205_S03_M90

m/z: 615.15419, RT: 13.11, 強度: 6035, ログ強度: 0.42, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 9

DB検索結果: (2 names) [(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;Cmp-nana

DBごとのヒット数: ALL 2 KG 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.069

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
C20H31O16N4P	614.14727	-0.575	[(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate	HMDB: HMDB0260221
C20H31O16N4P	614.14727	-0.575	CMP-N-acetylneuraminate	HMDB: HMDB0001176, HMDB0250377 KEGG: C00128

MSnスペクトル情報

Level: 2, プリカーサーm/z: 615.15704

Splash: splash10-052r-0006910000-764725546ad25ba75471

m/z	Int.	NL	Rel.Int.
486.25	3119	129	1000
357.09	1853	258	594
597.22	758	18	242
356.16	466	259	149
485.33	313	130	100
355.09	311	260	99
484.14	192	131	61

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone]-A(3OH, 1(C-Glu), 1(2-Carboxy-1-(4-hydroxyphenyl)-ethyl))-B(1OH)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone	Safflomin C

Level: 3, プリカーサーm/z: 486.25323

Splash: splash10-0a4i-0009000000-b932baf56b0ea4ab2384

m/z	Int.	NL	Rel.Int.
357.14	1159	129	1000
356.15	115	130	99
355.15	63	131	54

Level: 3, プリカーサーm/z: 357.09039

Splash: splash10-03dr-0493000000-b611b9f67c2006526b10

m/z	Int.	NL	Rel.Int.
213.05	142	144	1000
237.07	92	120	647
211.01	75	146	528
300.16	57	57	398
339.02	56	18	393
130.06	50	227	348
177.03	27	180	192
179.13	26	178	185
130.99	26	226	185
142.84	16	214	115
234.97	13	122	91
340.24	12	17	86
321.18	10	36	69
144.89	9	212	66
263.93	8	93	59
146.82	8	210	58
181.17	8	176	57

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.069	[Flavanone]-A(3OH, 1(C-Prenyl))-B(1OH)	Flavanone	8-Prenylcarthamidin
0.063	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(3OH)	2'-Hydroxychalcone	Ramosismin
0.036	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Dihydroflavonol	Shuterin
0.036	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Dihydroflavonol	8-prenylaromadendrin
0.036	[Dihydroflavonol]-A(2OH)-B(1OH, 1(C-Prenyl))	Dihydroflavonol	3'-prenylaromadendrin
0.033	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavanone	6-Prenyleriodictyol
0.033	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavanone	8-Prenyleriodictyol
0.033	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavanone	Leachianone G
0.033	[Flavanone]-A(3OH)-B(1OH, 1(C-Prenyl))	Flavanone	Flowerone
0.033	[Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavanone	Sigmoidin B
0.033	[Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavanone	2'-Prenyleriodictyol
0.033	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	Kievitone
0.033	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	Diphysolone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	2'-Hydroxychalcone	Brosimacutin G
0.000	[Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(4-hydroxy-6,6-Dimethyldihydropyrano)))-B(none)	Dihydrochalcone	2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	Dihydrochalcone	2',4',5''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	Dihydrochalcone	alpha,beta-Dihydroxanthohumol
0.000	[Dihydrochalcone]-A(3OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone
0.000	[Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))-B(none)	Flavanone	Tephrowatsin C
0.000	[Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavanone	Tomentosanol D
0.000	[Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Phellodensin D
0.000	[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(2OH)	Flavanone	6-(1,1-Dimethylallyl)eriodictyol
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	Flavanone	Kenusanone J
0.000	[Flavone]-A(1OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavone	Brosimacutin F
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavone	Laurifolin (flavonoid)
0.000	[Flavone]-A(2OH, 1(2-Carboxyvinyl))-B(2OH)	Flavone	Demethyltorosaflavone D
0.000	[Flavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone
0.000	[Flavone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Flavone	Ageconyflavone A
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	Kanugin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavonol	Kalmiatin
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Isokanugin
0.000	[Flavan 3-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3-ol	8-Prenylafzelechin 5-methyl ether
0.000	[Flavan 4-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 4-ol	4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan
0.000	[Flavan]-A(2OMe, 1(3-hydroxy-3-methylbutyl))-B(none)	Flavan	Nitenin
0.000	[Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone
0.000	[Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Milldurone
0.000	[Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone
0.000	[Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Petalostetin
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Hemerocallone
0.000	[Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Odoratine
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Iriskumaonin methyl ether
0.000	[Isoflavanone]-A(1OH, 1((Z)-4-hydroxyprenyl))-B(2OH)	Isoflavanone	7,2',4'-Trihydroxy-8-((Z)-4-hydroxyprenyl)isoflavanone
0.000	[Isoflavan]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavan	alpha,alpha-dimethylallylcyclolobin
0.000	[Coumestan]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Coumestan	2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
0.000	[6-Hydroxydehydrorotenone]-A(3OH)-B(none)-C(1(O-Acetyl))	6-Hydroxydehydrorotenone	6,9,10,11-Tetrahydroxydehydrorotenone 6-O-acetate
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy))	4-Hydroxy-3-phenylcoumarin	Derrusnin