ピーク情報

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pos

Peak #10709 MN MID: SE61_S21_M90

m/z: 617.42082, RT: 99.08, 強度: 156922, ログ強度: 1.60, アダクト: [M+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	1.250	Crassostrea Secocarotenoid	HMDB: HMDB0037789 LipidMAPS: LMPR01070591
C40H56O5	616.41277	1.250	(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	1.250	(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	1.250	Fucoxanthinol	HMDB: HMDB0252510 KNApSAcK: C00023240 LipidMAPS: LMPR01070055
C40H56O5	616.41277	1.250	Sugikurojin J	KNApSAcK: C00032259
C40H56O5	616.41277	1.250	(3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one	LipidMAPS: LMPR01071017
C40H56O5	616.41277	1.250		LipidMAPS: LMPR01070204
C40H56O5	616.41277	1.250	Vaucheriaxanthin	KNApSAcK: C00022947 LipidMAPS: LMPR01070740
C40H56O5	616.41277	1.250	3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one	KNApSAcK: C00031556
C40H56O5	616.41277	1.250	(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: 617.41772

Splash: splash10-0002-0000190000-940ceac744d1521f2107

m/z	Int.	NL	Rel.Int.
598.44	6429	19	1000
599.49	1425	18	221
430.37	1185	187	184
558.53	1078	59	167
429.33	389	188	60

Level: 3, プリカーサーm/z: 598.43646

Splash: splash10-001m-0021950000-435863b2b1fd93c312e4

m/z	Int.	NL	Rel.Int.
430.29	302	168	1000
540.49	272	58	900
498.33	230	100	759
429.44	124	169	409
580.57	106	18	351
556.49	91	42	302
455.67	66	143	218
444.42	58	154	191
512.63	55	86	181
328.33	53	270	176
456.55	51	142	170
354.37	51	244	169
261.32	50	337	165
274.32	49	324	162
414.53	48	184	158
262.23	45	336	149
286.21	45	312	149
236.26	44	362	147
300.33	44	298	146
337.17	41	261	135

Level: 3, プリカーサーm/z: 599.49445

Splash: splash10-001i-0042890000-4c007f4fbaa3012bb18f

m/z	Int.	NL	Rel.Int.
430.32	90	169	1000
541.55	70	58	772
581.01	63	18	701
431.37	60	168	670
299.80	43	300	481
540.48	41	59	459
498.38	40	101	445
286.41	27	313	300
330.48	26	269	283
428.38	20	171	226
273.22	20	326	225
581.72	19	18	211
584.81	18	15	204
348.49	18	251	202
262.00	18	337	199
556.38	17	43	190
390.08	17	209	188
497.54	17	102	185
522.52	16	77	180
291.41	16	308	176

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	共有数
	99.19	655.37667	37.9559	1.57	[M+K]+	(21 names) (3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one; (3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one; ; (3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7'...	ALL 18 KN 4 HM 2 LM 12	MS2 MS3 x 2	0.091	5
	99.13	639.40320	21.9824	1.35	[M+Na]+	(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		8
10709	99.08	617.42082	0.0000	1.60	[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 x 2		8
	99.24	599.40967	-18.0112	2.54	[M-H2O+H]+	(21 names) (3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one; (3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one; ; (3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7'...	ALL 18 KN 4 HM 2 LM 12	MS2 MS3 x 2		8
	99.29	581.39948	-36.0213	1.69	[M-2(H2O)+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 x 2		8

ピーク情報

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MSnスペクトル情報

FlavonoidSearch結果

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