ピーク情報

（にんにく類）にんにくりん茎生

pos

Peak #3462 MN MID: SE116_S062231_M90

m/z: 455.19235, RT: 38.23, 強度: 4713, ログ強度: 0.07, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (2 names) alpha-CEHC glucuronide;5-(3-Methoxyphenyl)-3-(1-phenylethylamino)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.200

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
C22H30O10	454.18390	2.601	alpha-CEHC glucuronide	HMDB: HMDB0062445
C26H25O2N2F3	454.18681	-3.818	5-(3-Methoxyphenyl)-3-(1-phenylethylamino)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one	HMDB: HMDB0260290

MSnスペクトル情報

Level: 2, プリカーサーm/z: 455.19226

Splash: splash10-0a4i-0019000000-5bad2beffef7889dac47

m/z	Int.	NL	Rel.Int.
306.18	13423	149	1000
289.14	1373	166	102
336.24	1119	119	83
326.19	1078	129	80
325.10	1067	130	79
281.26	681	174	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Flavone	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methyl-3-hexenyl))-B(1OH, 1OMe)	Flavanone	Leachianone D
[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	3-substituted Flavone	5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
[Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Dihydroflavonol	Diplacol 4'-methylether
[Dihydroflavonol]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol I

Level: 3, プリカーサーm/z: 306.13876

Splash: splash10-000i-0090000000-b5bb27ce5096a68d68f6

m/z	Int.	NL	Rel.Int.
289.10	6252	17	1000
288.28	1320	18	211

Level: 3, プリカーサーm/z: 289.20261

Splash: splash10-00e9-0940000000-7c6fd9bb250941bacc4d

m/z	Int.	NL	Rel.Int.
170.09	304	119	1000
243.12	143	46	470
261.22	141	28	463
130.01	127	159	417
132.16	71	157	235
271.25	34	18	113
144.03	30	145	99
119.99	28	169	92
172.01	23	117	76

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.200	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.167	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.167	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.167	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.158	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.158	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.133	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.083	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.083	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.059	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.056	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.056	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.056	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.056	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.056	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.056	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
0.000	[Dihydrochalcone]-A(1OH)-B(2OH, 1OMe)	Dihydrochalcone	Loureirin D
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	Asebogenin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone	Dihydrocalythropsin
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1OMe)	Dihydrochalcone	4,2',4'-Trihydroxy-3-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.000	[Auronol]-A(1OH)-B(2OH)	Auronol	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
0.000	[Auronol]-A(2OH)-B(1OH)	Auronol	Maesopsin
0.000	[alpha-Hydroxychalcone]-A(2OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',4',alpha-Pentahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone alpha-ol	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe)	Dihydrochalcone alpha-ol	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(1OH)	2-Hydroxyflavanone	2,5,7,4'-Tetrahydroxyflavanone
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	Cyanomaclurin
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
0.000	[Flavan]-A(1OH)-B(2OH, 1OMe)	Flavan	7,3',5'-Trihydroxy-4'-methoxyflavan