ピーク情報

パセリ　根

pos

Peak #10528 MN MID: SE61_S24_M90

m/z: 477.26151, RT: 103.73, 強度: 6057, ログ強度: 0.29, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (16 names) Chisocheton F;Withacoagin;(+)-Withacoagin;Withanolide B;Meldenin;Euglobal VII;14,15-dihydroxy-1-oxowitha-2,5,24-trien-26,22-olide;Euglobal IVa;Macrocarpal C;28-nor-3-oxo-18-acetoxy-witha-1,4-dienolide...

DBごとのヒット数: ALL 14 KN 7 HM 5 LM 2

FlavonoidSearch最大スコア MS2: 0.026, 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
C28H38O5	454.27192	0.792	Chisocheton F	KNApSAcK: C00047790
C28H38O5	454.27192	0.792	Withacoagin	KNApSAcK: C00033489
C28H38O5	454.27192	0.792	Lycium substance B	HMDB: HMDB0030020 KNApSAcK: C00033134
C28H38O5	454.27192	0.792	Meldenin	KNApSAcK: C00051524
C28H38O5	454.27192	0.792	Euglobal VII	HMDB: HMDB0030037
C28H38O5	454.27192	0.792	14,15-dihydroxy-1-oxowitha-2,5,24-trien-26,22-olide	LipidMAPS: LMST01160023
C28H38O5	454.27192	0.792	Euglobal IVa	HMDB: HMDB0030035
C28H38O5	454.27192	0.792	Macrocarpal C	HMDB: HMDB0038705
C28H38O5	454.27192	0.792	28-nor-3-oxo-18-acetoxy-witha-1,4-dienolide	LipidMAPS: LMST01160006
C28H38O5	454.27192	0.792	Blazeispirol Z	KNApSAcK: C00036820
C28H38O5	454.27192	0.792	Euglobal III	HMDB: HMDB0030166
C28H38O5	454.27192	0.792	Euglobal V	HMDB: HMDB0030038
C28H38O5	454.27192	0.792	22,23-Dihydronimocinol	KNApSAcK: C00045169
C28H38O5	454.27192	0.792	Isomeldenin	KNApSAcK: C00036127

MSnスペクトル情報

Level: 2, プリカーサーm/z: 477.26160

Splash: splash10-055b-0031900000-3643fb5fd8bc55167ca0

m/z	Int.	NL	Rel.Int.
459.33	1399	18	1000
279.11	1164	198	832
445.33	1152	32	823
449.36	938	28	670
325.21	826	152	590
433.43	714	44	510
251.18	637	226	455
431.28	356	46	254
415.45	355	62	253
401.42	257	76	183
419.46	229	58	163
275.21	174	202	124
458.57	174	19	124
417.42	164	60	117
447.54	151	30	107
345.16	145	132	103
446.45	111	31	79
427.46	107	50	76
389.41	104	88	74
221.15	104	256	74

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.074	[Dihydroflavonol]-A(1OH, 1(C-Prenyl))-B(1OH, 2(C-Prenyl))	Dihydroflavonol	8,3',5'-Triprenylgarbanzol
0.040	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Isoorientin 7,3'-dimethyl ether
0.040	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH, 1OMe)	Flavone	6-C-Glucopyranosylpilloin
0.040	[Flavone]-A(2OMe, 1(C-Glu))-B(2OH)	Flavone	Parkinsonin B
0.040	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Orientin 7,3'-dimethyl ether
0.040	[Flavone]-A(1OH, 2OMe, 1(C-Glu))-B(1OH)	Flavone	Abrusin
0.040	[Flavone]-A(1OH, 2OMe, 1(C-Glu))-B(1OH)	Flavone	Precatorin I
0.040	[Isoflavone]-A(2OH, 1OMe, 1(C-Glu))-B(1OMe)	Isoflavone	Volubilinin
0.030	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 2(C-Prenyl))	Flavanone	Hydroxysophoranone
0.030	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavanone	Amorilin
0.000	[Flavonol (3-OMe)]-A(2OH, 1(C-Rhamnosyl))-B(1OH, 1OMe)	Flavonol	5,7,3'-Trihydroxy-3,4'-dimethoxyflavone 8-C-rhamnopyranoside
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (4'-Hydroxy-3'-methoxy)]-A(1OH)-B(1OH, 2OMe)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin	Malvidin 4-vinylguaiacol
0.000	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1Geranyl)	Isoflavanone	Sophoraisoflavanone C
0.000	[UBR-type derivative / 7-Oxocyclohexa-5,8a-dienyl-type 4-Phenylcoumarin]-A(1OH, 2(C-Prenyl), 1(2-Methylbutyroyl))-B(none)	UBR-type derivative / 7-Oxocyclohexa-5,8a-dienyl-type 4-Phenylcoumarin	Calofloride

Level: 3, プリカーサーm/z: 279.14893

Splash: splash10-0udi-0090000000-c8eae56e8b1ed71af8b3

m/z	Int.	NL	Rel.Int.
251.15	131	28	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Hydroxyfurano[2'',3'':6,7]aurone
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Chalcone	Ovalitenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-[2'',3'':7,8]furanoflavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	6-Hydroxyfurano[2'',3'':7,8]flavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	Pongaglabol
[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1OH)	Pterocarpene	Neorauteen

Level: 3, プリカーサーm/z: 459.41971

Splash: splash10-004i-0005900000-2737f056f38ac3dde9d9

m/z	Int.	NL	Rel.Int.
427.30	88	32	1000
431.56	32	28	366
444.40	29	15	323
415.20	23	44	256
251.17	22	208	245
413.56	19	46	219
329.60	19	130	213
363.42	18	96	208
343.38	16	116	182
349.38	15	110	175
360.27	12	99	135
389.46	11	70	126
441.50	11	18	121
385.38	10	74	113
344.79	10	115	108
193.93	9	265	102
358.95	8	100	92
382.36	8	77	89
159.06	7	300	84
417.32	7	42	82

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Galloyl))	Flavan 3-ol	Gallocatechin 3-O-gallate
[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Sophoradochromene
[2'-Hydroxychalcone]-A(1OH, 1(C-Prenyl), 1([3,4,5:@@@]-(1,7,7-Trimethyl-2,6-dioxa-tricyclo[6.2.2.0(4,9)]dodecene)))-B(none)	2'-Hydroxychalcone	3'-Prenylrubranine
[Flavanone]-A(1OH, 1(C-Prenyl))-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sophoranochromene
[Isoflavone]-A(1OH, 1(1(O-Acetyl)-C-Glu))-B(1OH)	Isoflavone	Puerarin 6''-O-acetate
[Isoflavone]-A(1OH, 1(2(O-Acetyl)-C-Glu))-B(1OH)	Isoflavone	Puerarin 4',6''-O-diacetate

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