ピーク情報

ミヤコグサ

pos

Peak #5710 MN MID: SE205_S07_M90

m/z: 345.26361, RT: 59.17, 強度: 2833, ログ強度: -0.04, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (8 names) 3R-dodecanoyloxy-2R-hydroxy-4-methylpentanoic acid methyl ester;12,13-dihydroxy-11-methoxy-9-octadecenoic acid;1-O-Myristoyl-2-acetyl-glycerol;DG(8:0/8:0/0:0);2R-dodecanoyloxy-3R-hydroxy-4-methylpenta...

DBごとのヒット数: ALL 8 HM 4 LM 4

FlavonoidSearch最大スコア MS2: 0.167, MS3: 0.032

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
C19H36O5	344.25627	0.175	3R-dodecanoyloxy-2R-hydroxy-4-methylpentanoic acid methyl ester	LipidMAPS: LMFA07090104
C19H36O5	344.25627	0.175	12,13-dihydroxy-11-methoxy-9-octadecenoic acid	LipidMAPS: LMFA01080006
C19H36O5	344.25627	0.175	1-O-Myristoyl-2-acetyl-glycerol	HMDB: HMDB0249917
C19H36O5	344.25627	0.175	DG(8:0/8:0/0:0)	HMDB: HMDB0116368, HMDB0244086
C19H36O5	344.25627	0.175	Bempedoic acid	HMDB: HMDB0251991
C19H36O5	344.25627	0.175	2R-dodecanoyloxy-3R-hydroxy-4-methylpentanoic acid methyl ester	LipidMAPS: LMFA07090105
C19H36O5	344.25627	0.175	DG(8:0/0:0/8:0)	HMDB: HMDB0092900
C19H36O5	344.25627	0.175	(9S,10S,11R)-trihydroxy-12Z-octadecenoic aci	LipidMAPS: LMFA05000713

MSnスペクトル情報

Level: 2, プリカーサーm/z: 345.26340

Splash: splash10-056r-0029000000-5297172dae861044aa28

m/z	Int.	NL	Rel.Int.
327.21	7436	18	1000
309.24	3791	36	509
235.11	1317	110	177
217.12	1084	128	145
253.18	521	92	70

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none)	2'-Hydroxychalcone	3'-Hydroxy-2',4',5',6'-tetramethoxychalcone
0.077	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OMe)	2'-Hydroxychalcone	6'-Hydroxy-4,2',3',4'-tetramethoxychalcone
0.077	[2'-Hydroxychalcone]-A(1OH, 4OMe)-B(none)	2'-Hydroxychalcone	Kanakugiol
0.077	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(2OMe)	2'-Hydroxychalcone	Okanin 3,4,3',4'-tetramethyl ether
0.077	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(2OMe)	2'-Hydroxychalcone	2'-Hydroxy-2,3,4',6'-tetramethoxychalcone
0.077	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(2OMe)	2'-Hydroxychalcone	2'-Hydroxy-3,4,4',6'-tetramethoxychalcone
0.077	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(2OMe)	2'-Hydroxychalcone	Cerasidin
0.067	[Flavanone]-A(4OMe)-B(none)	Flavanone	Kanakugin
0.067	[Flavanone]-A(3OMe)-B(1OMe)	Flavanone	5,6,7,4'-Tetramethoxyflavanone
0.067	[Flavanone]-A(2OMe)-B(2OMe)	Flavanone	5,7,2',5'-Tetramethoxyflavanone
0.067	[Flavanone]-A(2OMe)-B(2OMe)	Flavanone	Arjunone
0.042	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Isoflavone	Derrugenin
0.042	[Isoflavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Isoflavone	5,3'-Dihydroxy-7,8,2'-trimethoxyisoflavone
0.042	[Isoflavone]-A(2OH, 1OMe)-B(2OMe)	Isoflavone	Junipegenin B
0.042	[Isoflavone]-A(2OH, 1OMe)-B(2OMe)	Isoflavone	5,7-Dihydroxy-8,3',4'-trimethoxyisoflavone
0.042	[Isoflavone]-A(2OH)-B(3OMe)	Isoflavone	Panchovillin
0.000	[Flavone]-A(2OH)-B(3OMe)	Flavone	Prosogerin E
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavone	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,5'-Dihydroxy-8,3',4'-trimethoxyflavone
0.000	[Flavone]-A(2OH)-B(3OMe)	Flavone	Tricetin 3',4',5'-trimethyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavone	Lethedocin
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,4'-dihydroxy-7,3',5'-trimethoxyflavone
0.000	[Flavone]-A(3OMe)-B(2OH)	Flavone	3',4'-Dihydroxy-5,6,7-trimethoxyflavone
0.000	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	Eupatilin
0.000	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	Cirsilineol
0.000	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	Eupatorin
0.000	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	6-Hydroxyluteolin 7,3',4'-trimethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	Wightin
0.000	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	Rivularin (flavone)
0.000	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	5,7-Dihydroxy-8,2',6'-trimethoxyflavone
0.000	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	5,7-Dihydroxy-8,3',5'trimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavone	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
0.000	[Flavone]-A(2OH, 1OMe)-B(2OMe)	Flavone	Hypolaetin 8,3',4'-trimethyl ether
0.000	[Flavone]-A(1OH, 3OMe)-B(1OH)	Flavone	Tenaxin I
0.000	[Flavone]-A(2OH, 2OMe)-B(1OMe)	Flavone	Pedunculin
0.000	[Flavone]-A(1OH, 3OMe)-B(1OH)	Flavone	Xanthomicrol
0.000	[Flavone]-A(2OH, 2OMe)-B(1OMe)	Flavone	Nevadensin
0.000	[Flavone]-A(2OH, 2OMe)-B(1OMe)	Flavone	5,6-Dihydroxy-7,8,4'-trimethoxyflavone
0.000	[Anthocyanidin]-A(1OH, 1OMe)-B(1OH, 2OMe)	Anthocyanidin	3,7,4'-Trihydroxy-5,3',5'-trimethoxyflavylium
0.000	[Anthocyanidin]-A(1OH, 1OMe)-B(1OH, 2OMe)	Anthocyanidin	Hirsutidin
0.000	[Flavonol]-A(1OMe)-B(1OH, 2OMe)	Flavonol	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone
0.000	[Flavonol]-A(1OH, 2OMe)-B(1OMe)	Flavonol	Mikanin
0.000	[Flavonol]-A(1OH, 2OMe)-B(1OMe)	Flavonol	Tambulin
0.000	[Flavonol]-A(1OH, 1OMe)-B(2OMe)	Flavonol	3,7-Dihydroxy-5,3',4'-trimethoxyflavone
0.000	[Flavonol]-A(1OH, 1OMe)-B(2OMe)	Flavonol	Quercetin 7,3',4'-trimethyl ether
0.000	[Flavonol]-A(1OH, 3OMe)-B(none)	Flavonol	3,5-Dihydroxy-6,7,8-trimethoxyflavone
0.000	[Flavonol]-A(3OMe)-B(1OH)	Flavonol	Candidol
0.000	[Aurone]-A(3OMe)-B(2OH)	Aurone	Hamiltrone
0.000	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Agestricin A
0.000	[Dihydrochalcone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Dihydrochalcone	2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone
0.000	[Dihydrochalcone beta-ol (2-OMe)]-A(1([@@]-Methylenedioxy))-B(2OMe)	Dihydrochalcone beta-ol	Dihydroisomilletenone methyl ether
0.000	[Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy))	Dihydrochalcone beta-ol	Dihydromilletenone methyl ether
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(2OMe)	Flavanone	5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone
0.000	[Flavanone]-A(2OMe, 1Methyl)-B(1OH, 1OMe)	Flavanone	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
0.000	[Flavanone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavanone	Agestricin B
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone	Breverin
0.000	[Flavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-Furano))-B(none)	Flavone	Sanaganone
0.000	[Dihydroflavonol]-A(2OH)-B(1OMe)-C(1(O-Acetyl))	Dihydroflavonol	Aromadendrin 4'-methyl ether 3-O-acetate
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	Aromadendrin 7-methyl ether 3-O-acetate
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(2OH, 1OMe)	Flavonol	4',5'-Dihydroxy-3,7,3'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OMe)	Flavonol	Quercetin 3,3',4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 3,5,3'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Pachypodol
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Ayanin
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(1OH, 1OMe)	Flavonol	6-C-Methylquercetin 3,3'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(2OH)	Flavonol	2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(2OH)	Flavonol	2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OMe)	Flavonol	Morin 3,2',4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Morin 3,7,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 3,5,7-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Santin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH)	Flavonol	Penduletin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Tanetin
0.000	[Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(2OH)	Flavonol	5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone
0.000	[Flavonol]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Flavonol	3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH)	Flavonol	5,2'-Dihydroxy-3,7,8-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Herbacetin 3,7,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH)	Flavonol	Herbacetin 3,7,8-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Herbacetin 3,8,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(1OH)	Flavonol	5,8,4'-Trihydroxy-3,7-dimethoxy-6-methylflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(2OH)	Flavonol	Wharangin
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(none)	Flavonol	5,8-Dihydroxy-3,6,7-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(none)	Flavonol	Araneol
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(2OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavone	Benthamianin
0.000	[Flavan]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([@@]-Methylenedioxy))	Flavan	5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan
0.000	[Pterocarpan]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	2-Hydroxy-4-methoxypterocarpin
0.000	[Pterocarpan-6a-ol]-A(2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Lathycarpin
0.000	[Pterocarpene]-A(1OH, 1OMe)-B(1OH, 2OMe)	Pterocarpene	Bryacarpene 1
0.000	[12a-Hydroxyrotenone]-A(1OH, 1OMe, 1Methyl)-B(1OH)	12a-Hydroxyrotenone	Boeravinone C
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(1OH, 1OMe)	4-phenylcoumarin	8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin

Level: 3, プリカーサーm/z: 327.20950

Splash: splash10-0a4i-0379000000-1aa875ccfaa5a5460154

m/z	Int.	NL	Rel.Int.
309.25	1401	18	1000
235.19	498	92	355
217.15	490	110	349
120.89	174	206	124
253.27	171	74	122
134.98	159	192	113
161.03	99	166	70
175.13	88	152	62
111.06	73	216	52

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3'-prenyldihydrochalcone
[Flavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	Millettocalyxin A
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	Milletenin C
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	7,8-Dimethoxy-3',4'-methylenedioxyflavone
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavone	Eucalyptin
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	5,7-Dimethoxy-3',4'-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Demethoxykanugin
[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavonol	3,5-Dimethoxy-6,7-methylenedioxyflavone
[Flavan 3-ol]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavan 3-ol	Broussinol
[Isoflavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Cuneatin methyl ether
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Fujikinetin methyl ether
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	3',4'-Dimethoxy-6,7-methylenedioxyisoflavone
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Maximaisoflavone D
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	7,8-Dimethoxy-3',4'-methylenedioxyisoflavone
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Derrustone
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Tlatlancuayin
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Irisolone methyl ether
[Isoflavan]-A(1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH)	Isoflavan	Cyclomillinol
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	2-Hydroxyflemichapparin C
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Tephrosol
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Sophoracoumestan B
[6-Hydroxydehydrorotenone (6-OMe)]-A(2OH, 1Methyl)-B(none)	6-Hydroxydehydrorotenone	Boeravinone A
[4-phenylcoumarin]-A(2OMe)-B(1([@@]-Methylenedioxy))	4-phenylcoumarin	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin

Level: 3, プリカーサーm/z: 309.24268

Splash: splash10-00ks-1930000000-a56ae6274d5d9b918465

m/z	Int.	NL	Rel.Int.
235.21	167	74	1000
217.22	166	92	997
121.05	135	188	812
135.00	134	174	801
149.08	98	160	588
178.97	95	130	567
118.97	91	190	547
92.99	83	216	498
133.08	78	176	468
147.05	74	162	442
137.01	70	172	421
290.98	64	18	385
122.93	63	186	378
175.01	60	134	360
173.10	60	136	357
124.87	58	184	348
161.13	57	148	344
193.04	56	116	337
247.37	53	62	317
94.81	52	214	311

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.028	[Flavanone]-A(1OH, 1(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone B
0.028	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isocordoin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3'-(1,1-Dimethylallyl)chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	O-Methylpongamol
0.000	[Flavanone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavonol	3-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neodulin