ピーク情報

パセリ　葉

pos

Peak #10738 MN MID: SE61_S21_M90

m/z: 581.39948, RT: 99.29, 強度: 159082, ログ強度: 1.69, アダクト: [M-2(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: -

DB検索結果

ppm

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	0.899	(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	0.899	(3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one	LipidMAPS: LMPR01071017
C40H56O5	616.41277	0.899		LipidMAPS: LMPR01070204
C40H56O5	616.41277	0.899	(3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7',8'-didehydro-gamma,epsilon-carotene-8-one	LipidMAPS: LMPR01070983
C40H56O5	616.41277	0.899	Crassostrea Secocarotenoid	HMDB: HMDB0037789 LipidMAPS: LMPR01070591
C40H56O5	616.41277	0.899	(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	0.899	Fucoxanthinol	HMDB: HMDB0252510 KNApSAcK: C00023240 LipidMAPS: LMPR01070055
C40H56O5	616.41277	0.899	Sugikurojin J	KNApSAcK: C00032259
C40H56O5	616.41277	0.899	Vaucheriaxanthin	KNApSAcK: C00022947 LipidMAPS: LMPR01070740
C40H56O5	616.41277	0.899	3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one	KNApSAcK: C00031556
C33H61O8P	616.41041	4.741	1-(9Z,12Z-heptadecadienoyl)-2-tridecanoyl-glycero-3-phosphate	LipidMAPS: LMGP10010277
C33H61O8P	616.41041	4.741	1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphate	LipidMAPS: LMGP10010113
C33H61O8P	616.41041	4.741	1,2-di-(9Z-pentadecenoyl)-sn-glycero-3-phosphate	LipidMAPS: LMGP10010164
C33H61O8P	616.41041	4.741	1-(9Z,12Z-octadecadienoyl)-2-dodecanoyl-glycero-3-phosphate	LipidMAPS: LMGP10010338
C33H61O8P	616.41041	4.741	PA(16:1(9Z)/14:1(9Z))	HMDB: HMDB0114853 LipidMAPS: LMGP10010202
C33H61O8P	616.41041	4.741	1-tridecanoyl-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphate	LipidMAPS: LMGP10010073
C33H61O8P	616.41041	4.741	PA(i-12:0/18:2(9Z,11Z))	HMDB: HMDB0115775
C33H61O8P	616.41041	4.741	1-dodecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate	LipidMAPS: LMGP10010051

MSnスペクトル情報

Level: 2, プリカーサーm/z: 581.39941

Splash: splash10-03di-0012290000-49dff8ed4c89deaa96ab

m/z	Int.	NL	Rel.Int.
563.46	5812	18	1000
413.38	1389	168	239
395.40	916	186	157
523.59	729	58	125
505.47	678	76	116
311.30	591	270	101
481.50	547	100	94
299.31	485	282	83
539.47	447	42	76
335.27	413	246	71
287.30	383	294	65
269.23	369	312	63
195.19	356	386	61
439.37	347	142	59
261.31	312	320	53
329.23	309	252	53
545.43	306	36	52

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH)	Flavone	Lucenin 1
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH)	Flavone	Lucenin 3
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Carlinoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Isocarlinoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Neocarlinoside

Level: 3, プリカーサーm/z: 563.48938

Splash: splash10-052b-0044960000-6933340cee03271e9175

m/z	Int.	NL	Rel.Int.
505.42	200	58	1000
395.38	182	168	910
545.55	126	18	631
463.51	107	100	536
487.56	98	76	492
441.36	80	122	398
409.44	74	154	368
548.53	69	15	346
407.40	65	156	323
287.31	63	276	314
291.20	59	272	297
437.47	56	126	281
275.07	56	288	280
339.34	51	224	257
261.20	49	302	246
439.02	49	124	244
351.35	47	212	233
507.45	45	56	225
469.65	43	94	215
247.27	42	316	210

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(1OH, 1OMe, 2(C-Arabinosyl))-B(1OMe)	Flavone	5-Hydroxy-7,4'-dimethoxyflavone 6,8-di-C-arabinopyranoside
0.000	[Flavone]-A(2OH, 2(C-Rhamnosyl))-B(1OH)	Flavone	6,8-Di-C-rhamnosylapigenin

Level: 3, プリカーサーm/z: 413.26465

Splash: splash10-0002-0069000000-403d9e02023bd2a902f1

m/z	Int.	NL	Rel.Int.
395.52	142	18	1000
339.36	56	74	394
299.34	52	114	365
246.95	49	166	343
310.12	45	103	313
273.21	44	140	309
357.31	43	56	300
305.38	40	108	278
243.34	29	170	207
207.00	27	206	188
275.30	27	138	187
209.31	25	204	177
261.05	25	152	174
319.73	25	94	173
220.24	23	193	160
324.35	20	89	137
301.07	18	112	123
354.46	17	59	121
325.18	17	88	120
371.60	16	42	115

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(C-Prenyl))	Flavonol	Viscosol
[4-substituted Flavan 3-ol (4-(2,3,4-Trihydroxyphenyl))]-A(1OH)-B(2OH)	4-substituted Flavan 3-ol	4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol
[Rotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(2OMe)	Rotenone	Dihydroamorphigenin
[Rotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe)	Rotenone	Dalpanol
[12a-Hydroxyrotenone]-A(1OH, 1(C-Prenyl))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyrot-2'-enonic acid

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	共有数
	99.08	617.42082	36.0213	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	18.0102	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
10738	99.29	581.39948	0.0000	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

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報