ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #9385 MN MID: SE205_S08_M90

m/z: 617.42114, RT: 100.44, 強度: 5403, ログ強度: 0.13, 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: (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	1.759	Crassostrea Secocarotenoid	HMDB: HMDB0037789 LipidMAPS: LMPR01070591
C40H56O5	616.41277	1.759	(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	1.759	(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	1.759	Fucoxanthinol	HMDB: HMDB0252510 KNApSAcK: C00023240 LipidMAPS: LMPR01070055
C40H56O5	616.41277	1.759	Sugikurojin J	KNApSAcK: C00032259
C40H56O5	616.41277	1.759	(3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one	LipidMAPS: LMPR01071017
C40H56O5	616.41277	1.759		LipidMAPS: LMPR01070204
C40H56O5	616.41277	1.759	Vaucheriaxanthin	KNApSAcK: C00022947 LipidMAPS: LMPR01070740
C40H56O5	616.41277	1.759	3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one	KNApSAcK: C00031556
C40H56O5	616.41277	1.759	(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: 617.41943

Splash: splash10-004i-0010090000-d299e2c1c1f307bcc3a6

m/z	Int.	NL	Rel.Int.
525.41	2792	92	1000
599.50	984	18	352
221.01	468	396	167
581.37	267	36	95
598.89	151	19	54
364.12	151	253	53

Level: 3, プリカーサーm/z: 525.41003

Splash: splash10-05wk-0092210000-19a704f19063cb863844

m/z	Int.	NL	Rel.Int.
299.20	144	226	1000
225.13	127	300	882
507.43	126	18	873
233.21	90	292	627
221.03	87	304	603
339.22	76	186	527
415.31	65	110	453
467.41	47	58	323
285.13	45	240	312
433.43	41	92	283
235.17	39	290	267
263.29	30	262	209
351.22	30	174	206
209.16	29	316	201
353.42	24	172	164
203.03	22	322	151
211.28	21	314	148
311.26	21	214	146
335.47	21	190	142
166.94	20	358	141

Level: 3, プリカーサーm/z: 599.49841

Splash: splash10-001l-0024190000-f5f76d14e172a1ab9998

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.
581.53	137	18	1000
391.32	40	208	290
541.36	35	58	257
584.76	18	15	127
221.20	17	378	122
286.58	16	313	116
483.62	14	116	103
444.63	14	155	100
269.40	14	330	100
313.21	13	286	94
377.50	13	222	93
563.44	13	36	93
321.49	13	278	93
329.43	13	270	92
507.43	13	92	90
580.69	12	19	89
359.25	12	240	88
381.28	12	218	85
261.63	11	338	83
197.22	11	402	77