ピーク情報

イチョウ　葉

pos

Peak #13729 MN MID: SE205_S01_M90

m/z: 617.42198, RT: 102.72, 強度: 127772, ログ強度: 1.56, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 14

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	3.134	Crassostrea Secocarotenoid	HMDB: HMDB0037789 LipidMAPS: LMPR01070591
C40H56O5	616.41277	3.134	(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	3.134	(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	3.134	Fucoxanthinol	HMDB: HMDB0252510 KNApSAcK: C00023240 LipidMAPS: LMPR01070055
C40H56O5	616.41277	3.134	Sugikurojin J	KNApSAcK: C00032259
C40H56O5	616.41277	3.134	(3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one	LipidMAPS: LMPR01071017
C40H56O5	616.41277	3.134		LipidMAPS: LMPR01070204
C40H56O5	616.41277	3.134	Vaucheriaxanthin	KNApSAcK: C00022947 LipidMAPS: LMPR01070740
C40H56O5	616.41277	3.134	3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one	KNApSAcK: C00031556
C40H56O5	616.41277	3.134	(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: 617.41901

Splash: splash10-0002-0021090000-e73981fa50859c06b7f8

m/z	Int.	NL	Rel.Int.
599.55	986	18	1000
221.16	186	396	188
559.50	166	58	168
525.42	143	92	144
431.39	137	186	138
391.36	91	226	92
299.32	79	318	79
543.50	57	74	57
581.39	54	36	54
287.31	50	330	51
375.35	50	242	51
365.21	50	252	50

Level: 3, プリカーサーm/z: 599.54950

Splash: splash10-001l-0042190000-d92307f74cdd46864528

m/z	Int.	NL	Rel.Int.
581.45	118	18	1000
541.49	59	58	505
429.51	18	170	153
313.32	17	286	147
203.17	17	396	144
291.37	15	308	126
209.17	15	390	125
281.28	14	318	122
375.68	14	224	117
391.46	14	208	115
413.19	14	186	115
273.36	13	326	109
261.33	13	338	107
523.26	12	76	104
518.79	12	81	99
239.03	11	361	96
361.25	11	238	94
455.70	11	144	90
519.43	10	80	89
390.62	9	209	78

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

関連ピーク情報

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
13729	102.72	617.42198	0.0000	1.56	[M+H]+	(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 ...	ALL 10 KN 4 HM 1 LM 5	MS2 MS3			14
	102.72	599.41046	-18.0115	1.72	[M+K]+, [M-H2O+H]+			MS2 MS3 x 2			17

ピーク情報

DB検索結果

MSnスペクトル情報

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