ピーク情報

はつか大根　葉

pos

Peak #11185 MN MID: SE202_S21_M90

m/z: 599.41084, RT: 104.47, 強度: 18408, ログ強度: 0.54, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 13

DB検索結果: (13 names) Crassostrea Secocarotenoid;(3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one;(3S,5R,3'S)-3,5,3',8'-tetrahydroxy-6,7-didehydro-beta,kappa-caroten-6'-one;Sugikurojin ...

DBごとのヒット数: ALL 10 KN 4 HM 1 LM 5

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
C40H56O5	616.41277	2.192	Crassostrea Secocarotenoid	HMDB: HMDB0037789 LipidMAPS: LMPR01070591
C40H56O5	616.41277	2.192	(3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one	HMDB: HMDB0037795
C40H56O5	616.41277	2.192	(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one	HMDB: HMDB0037796 LipidMAPS: LMPR01071018
C40H56O5	616.41277	2.192	Fucoxanthinol	HMDB: HMDB0252510 KNApSAcK: C00023240 LipidMAPS: LMPR01070055
C40H56O5	616.41277	2.192	Sugikurojin J	KNApSAcK: C00032259
C40H56O5	616.41277	2.192	(3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one	LipidMAPS: LMPR01071017
C40H56O5	616.41277	2.192		LipidMAPS: LMPR01070204
C40H56O5	616.41277	2.192	Vaucheriaxanthin	KNApSAcK: C00022947 LipidMAPS: LMPR01070740
C40H56O5	616.41277	2.192	3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one	KNApSAcK: C00031556
C40H56O5	616.41277	2.192	(3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7',8'-didehydro-gamma,epsilon-carotene-8-one	LipidMAPS: LMPR01070983

MSnスペクトル情報

Level: 2, プリカーサーm/z: 599.40955

Splash: splash10-053r-0031090000-3981c1ffe394eabbcf10

m/z	Int.	NL	Rel.Int.
581.54	640	18	1000
507.47	507	92	792
221.21	150	378	233
563.40	111	36	173
377.24	110	222	171
567.44	94	32	146
441.31	75	158	116
299.22	72	300	113
525.43	62	74	96
281.32	56	318	86
391.37	54	208	83
237.11	50	362	77
209.13	48	390	75
233.28	45	366	70
365.38	42	234	66
285.15	42	314	65
257.29	42	342	65
207.11	41	392	63
401.26	41	198	63
170.91	38	429	59

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroperoxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	2'-Hydroxychalcone	Calyxin A
0.000	[Dihydrochalcone]-A(3OH, 2(C-Glu))-B(1OH)	Dihydrochalcone	Phloretin 3',5'-Di-C-glucoside

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果