ピーク情報

イネ　葉　ニッポンバレ

pos

Peak #6880 MN MID: SE199_S41_M90

m/z: 617.42049, RT: 72.10, 強度: 8707, ログ強度: 0.35, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (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'...

DBごとのヒット数: ALL 18 KN 4 HM 2 LM 12

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	0.709	(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	0.709	(3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one	LipidMAPS: LMPR01071017
C40H56O5	616.41277	0.709		LipidMAPS: LMPR01070204
C40H56O5	616.41277	0.709	(3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7',8'-didehydro-gamma,epsilon-carotene-8-one	LipidMAPS: LMPR01070983
C40H56O5	616.41277	0.709	Crassostrea Secocarotenoid	HMDB: HMDB0037789 LipidMAPS: LMPR01070591
C40H56O5	616.41277	0.709	(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	0.709	Fucoxanthinol	HMDB: HMDB0252510 KNApSAcK: C00023240 LipidMAPS: LMPR01070055
C40H56O5	616.41277	0.709	Sugikurojin J	KNApSAcK: C00032259
C40H56O5	616.41277	0.709	Vaucheriaxanthin	KNApSAcK: C00022947 LipidMAPS: LMPR01070740
C40H56O5	616.41277	0.709	3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one	KNApSAcK: C00031556
C33H61O8P	616.41041	4.551	1-(9Z,12Z-heptadecadienoyl)-2-tridecanoyl-glycero-3-phosphate	LipidMAPS: LMGP10010277
C33H61O8P	616.41041	4.551	1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphate	LipidMAPS: LMGP10010113
C33H61O8P	616.41041	4.551	1,2-di-(9Z-pentadecenoyl)-sn-glycero-3-phosphate	LipidMAPS: LMGP10010164
C33H61O8P	616.41041	4.551	1-(9Z,12Z-octadecadienoyl)-2-dodecanoyl-glycero-3-phosphate	LipidMAPS: LMGP10010338
C33H61O8P	616.41041	4.551	PA(16:1(9Z)/14:1(9Z))	HMDB: HMDB0114853 LipidMAPS: LMGP10010202
C33H61O8P	616.41041	4.551	1-tridecanoyl-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphate	LipidMAPS: LMGP10010073
C33H61O8P	616.41041	4.551	PA(i-12:0/18:2(9Z,11Z))	HMDB: HMDB0115775
C33H61O8P	616.41041	4.551	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: 617.42029

Splash: splash10-004i-0000090000-11b080f5fb5b4e8cbc97

m/z	Int.	NL	Rel.Int.
525.39	4664	92	1000
599.45	1508	18	323
221.18	573	396	122
581.47	471	36	100

Level: 3, プリカーサーm/z: 525.46515

Splash: splash10-0awa-0191420000-89a01daec1cb79a168af

m/z	Int.	NL	Rel.Int.
299.28	154	226	1000
507.47	128	18	833
221.10	103	304	666
467.43	100	58	646
415.29	59	110	382
233.21	45	292	291
181.11	41	344	266
191.06	38	334	249
339.39	34	186	222
257.20	30	268	196
225.22	30	300	192
401.50	28	124	184
207.10	28	318	179
286.26	24	239	158
301.36	23	224	149
433.41	21	92	139
261.06	21	264	137
353.29	20	172	131
197.22	20	328	129
265.31	19	260	125

Level: 3, プリカーサーm/z: 599.45465

Splash: splash10-001i-0021290000-ed10493a681e9efa6fea

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

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
581.59	102	18	1000
563.64	23	36	228
541.54	22	58	218
419.51	17	180	164
359.34	15	240	147
571.64	14	28	137
289.23	14	310	134
410.50	13	189	128
285.05	12	314	118
443.42	10	156	101
495.50	10	104	100
377.16	9	222	87
189.16	9	410	84
341.38	8	258	82
180.99	8	418	77
404.72	7	195	71
202.94	7	397	71
545.47	7	54	64
209.18	7	390	63
557.72	6	42	61