ピーク情報

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pos

Peak #8142 MN MID: SE199_S41_M90

m/z: 599.41026, RT: 99.46, 強度: 68529, ログ強度: 1.43, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 8

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	1.257	Crassostrea Secocarotenoid	HMDB: HMDB0037789 LipidMAPS: LMPR01070591
C40H56O5	616.41277	1.257	(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	1.257	(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	1.257	Fucoxanthinol	HMDB: HMDB0252510 KNApSAcK: C00023240 LipidMAPS: LMPR01070055
C40H56O5	616.41277	1.257	Sugikurojin J	KNApSAcK: C00032259
C40H56O5	616.41277	1.257	(3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one	LipidMAPS: LMPR01071017
C40H56O5	616.41277	1.257		LipidMAPS: LMPR01070204
C40H56O5	616.41277	1.257	Vaucheriaxanthin	KNApSAcK: C00022947 LipidMAPS: LMPR01070740
C40H56O5	616.41277	1.257	3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one	KNApSAcK: C00031556
C40H56O5	616.41277	1.257	(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: 599.40930

Splash: splash10-001i-0033390000-bd275c206ce513d1b5d0

m/z	Int.	NL	Rel.Int.
581.53	2949	18	1000
377.31	770	222	260
541.48	638	58	216
431.42	612	168	207
209.13	483	390	163
563.48	482	36	163
459.36	424	140	143
417.44	411	182	139
383.28	373	216	126
299.31	336	300	113
233.20	322	366	109
499.50	296	100	100
391.45	291	208	98
235.06	288	364	97
315.23	283	284	96
365.27	271	234	91
507.44	269	92	91
557.49	261	42	88
273.23	260	326	88
249.26	256	350	86

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

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MSnスペクトル情報

FlavonoidSearch結果

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