ピーク情報

（にんにく類）にんにくりん茎生

pos

Peak #1180 MN MID: SE116_S062231_M90

m/z: 355.09909, RT: 13.43, 強度: 3639300, ログ強度: 2.95, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 9

DB検索結果: (9 names) Alliin;N-Acetyl-S-methylcysteine;N-Acetyl-DL-homocysteine;2-Amino-3-propylsulfinylprop-2-enoic acid;Entadamide C;Isoalliin;N-Formyl-L-methionine;Cycloalliin;Polyvidone

DBごとのヒット数: ALL 9 KG 3 KN 2 HM 4

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
C6H11O3NS	177.04596	-0.323	Alliin	HMDB: HMDB0033592, HMDB0301759 KEGG: C08265 KNApSAcK: C00001336
C6H11O3NS	177.04596	-0.323	N-Acetyl-S-methylcysteine	HMDB: HMDB0240544
C6H11O3NS	177.04596	-0.323	N-Acetyl-DL-homocysteine	HMDB: HMDB0255054
C6H11O3NS	177.04596	-0.323	2-Amino-3-propylsulfinylprop-2-enoic acid	HMDB: HMDB0255372
C6H11O3NS	177.04596	-0.323	Entadamide C	KNApSAcK: C00031764
C6H11O3NS	177.04596	-0.323	Isoalliin	HMDB: HMDB0029441, HMDB0302221 KEGG: C08295 KNApSAcK: C00001389, C00053345
C6H11O3NS	177.04596	-0.323	Cycloalliin	HMDB: HMDB0029417 KNApSAcK: C00055438
C6H11O3NS	177.04596	-0.323	N-Formylmethionine	HMDB: HMDB0001015, HMDB0255142 KEGG: C03145

MSnスペクトル情報

Level: 2, プリカーサーm/z: 355.09888

Splash: splash10-004i-0900000000-46845a2dee05ea9b9efe

m/z	Int.	NL	Rel.Int.
178.01	797516	177	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavonol	Isolicoflavonol
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	6-Prenylkaempferol
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	Noranhydroicaritin
[Flavonol]-A(3OH, 1(C-Prenyl))-B(none)	Flavonol	Platanetin
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	5,7,3',4'-Tetrahydroxy-6-prenylisoflavone
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	Gancaonin L
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	Luteone (isoflavone)
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	2,3-Dehydrokievitone
[Isoflavone]-A(2OH)-B(2OH, 1(C-Prenyl))	Isoflavone	Licoisoflavone A
[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	8-C-Prenylluteolin
[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	6-C-Prenylluteolin
[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	Artocarpesin
[Chalcone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Chalcone	Licoagrochalcone C
[Chalcone]-A(1OH, 1(C-Prenyl))-B(2OH, 1OMe)	Chalcone	Licochalcone D
[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydroflavonol	Leaserone
[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sigmoidin C
[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenon F
[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenon H
[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
[Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Agrandol
[Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Microfolione
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone
[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone
[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Isoxanthohumol(Sophora)
[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Mundulea flavanone B
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Xanthohumol
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Xanthogalenol
[Isoflavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Licoisoflavanone
[Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavanone	Cyclokievitone
[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Pterocarpan	1-Methoxyphaseollidin
[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Pterocarpan	Edudiol
[2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	2-Benzyl-2-hydroxydihydrobenzofuran	Castillene C
[Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Chalcone	Licoagrochalcone D
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol D
[2'-Hydroxychalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol H
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Helichromanochalcone
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	2'-Methoxyhelikrausichalcone
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH)	2'-Hydroxychalcone	3',4'-Dihydrooxepino-6'-hydroxybutein
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Isodehydrocycloxanthohumol hydrate
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone
[Dihydrochalcone]-A(2OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydrochalcone	Flemistrictin D
[Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dihydrochalcone beta-ol	Ponganone IX
[Flavanone]-A(1OH, 1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	Tephroleocarpin A
[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone
[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-methyl-6-prenylflavanone
[Flavanone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavanone	Velloeriodictyol
[Flavanone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone
[Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavone	Dinklagin C
[Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavone	Ephedroidin
[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavone	Dinklagin B
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH)	3-substituted Flavone	Albanin A
[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Dihydroflavonol	Shuterol
[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone
[Dihydroflavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Dihydroflavonol	3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone
[Flavan 3-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavan 3-ol	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
[Flavan 4-ol]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan 4-ol	Tephrowatsin A
[Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 3,4-diol	Quercetol A
[CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(2OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin	5-Carboxypyranocyanidin
[Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH)	Isoflavone	Hydroxywighteone
[Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH)	Isoflavone	Gancaonin C
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Isoflavone	Erythrinin C
[Isoflavone]-A(2OH)-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone C
[Isoflavone]-A(2OH)-B(2OH, 1(1,1-Dimethylallyl))	Isoflavone	Fremontin
[Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OH, 1OMe, 1([@@]-Methylenedioxy))	Isoflavanone	Erosenone
[Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe)	Isoflavanone	Nepseudin
[Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe)	Isoflavanone	Ambonone
[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe)	Isoflavan	3'-Methoxyglabridin
[Isoflavan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Neorauflavane
[Pterocarpan-6a-ol]-A(1OH)-B(1OMe, 1(C-Prenyl))	Pterocarpan-6a-ol	Cristacarpin
[Pterocarpan-6a-ol]-A(1OMe, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceollin IV
[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH)	Pterocarpan-6a-ol	Glyceofuran
[Rotenoid 12-ol]-A(1([2,3:@@]-Furano))-B(2OMe)	Rotenoid 12-ol	Elliptinol
[3-Hydroxy-2-phenylbenzofuran (3-OMe)]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe)	3-Hydroxy-2-phenylbenzofuran	Ambofuranol
[2-Phenylbenzofuran]-A(2OMe, 1(C-Prenyl))-B(2OH)	2-Phenylbenzofuran	Gancaonin I

Level: 3, プリカーサーm/z: 178.00423

Splash: splash10-000i-9100000000-30fb0038d60e799cfd93

m/z	Int.	NL	Rel.Int.
87.83	22100	90	1000
160.04	1677	18	75
142.98	1106	35	50