ピーク情報

ヒメツリガネゴケ　原糸体（プロトネマ）

pos

Peak #2555 MN MID: SE205_S03_M90

m/z: 617.42071, RT: 102.75, 強度: 20001, ログ強度: 0.94, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 13

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	1.069	(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	1.069	(3S,5R,6S,3'S,5'R)-3,6-Epoxy-5,3',8'-triihydroxy-beta,kappa-caroten-6'-one	LipidMAPS: LMPR01071017
C40H56O5	616.41277	1.069		LipidMAPS: LMPR01070204
C40H56O5	616.41277	1.069	(3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7',8'-didehydro-gamma,epsilon-carotene-8-one	LipidMAPS: LMPR01070983
C40H56O5	616.41277	1.069	Crassostrea Secocarotenoid	HMDB: HMDB0037789 LipidMAPS: LMPR01070591
C40H56O5	616.41277	1.069	(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	1.069	Fucoxanthinol	HMDB: HMDB0252510 KNApSAcK: C00023240 LipidMAPS: LMPR01070055
C40H56O5	616.41277	1.069	Sugikurojin J	KNApSAcK: C00032259
C40H56O5	616.41277	1.069	Vaucheriaxanthin	KNApSAcK: C00022947 LipidMAPS: LMPR01070740
C40H56O5	616.41277	1.069	3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one	KNApSAcK: C00031556
C33H61O8P	616.41041	4.910	1-(9Z,12Z-heptadecadienoyl)-2-tridecanoyl-glycero-3-phosphate	LipidMAPS: LMGP10010277
C33H61O8P	616.41041	4.910	1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphate	LipidMAPS: LMGP10010113
C33H61O8P	616.41041	4.910	1,2-di-(9Z-pentadecenoyl)-sn-glycero-3-phosphate	LipidMAPS: LMGP10010164
C33H61O8P	616.41041	4.910	1-(9Z,12Z-octadecadienoyl)-2-dodecanoyl-glycero-3-phosphate	LipidMAPS: LMGP10010338
C33H61O8P	616.41041	4.910	PA(16:1(9Z)/14:1(9Z))	HMDB: HMDB0114853 LipidMAPS: LMGP10010202
C33H61O8P	616.41041	4.910	1-tridecanoyl-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphate	LipidMAPS: LMGP10010073
C33H61O8P	616.41041	4.910	PA(i-12:0/18:2(9Z,11Z))	HMDB: HMDB0115775
C33H61O8P	616.41041	4.910	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: 617.41907

Splash: splash10-0002-0053090000-5a4d7c08c39f9fb17d88

m/z	Int.	NL	Rel.Int.
599.45	581	18	1000
286.21	196	331	336
581.34	105	36	180
221.17	104	396	179
391.32	97	226	167
377.38	68	240	117
313.29	49	304	84
393.44	47	224	80
287.24	38	330	65
537.47	36	80	61
232.57	35	385	60
507.46	35	110	59
299.32	34	318	58
207.06	34	410	58
373.33	33	244	56
237.06	30	380	52
519.40	30	98	51

Level: 3, プリカーサーm/z: 599.45490

Splash: splash10-0089-0065090000-45d4bc52d0007c5ec558

m/z	Int.	NL	Rel.Int.
581.51	48	18	1000
271.22	16	328	340
365.40	14	234	295
539.39	14	60	286
355.48	12	244	248
501.47	11	98	240
325.22	10	274	207
377.53	9	222	192
221.03	9	378	188
295.48	9	304	186
287.24	9	312	183
279.25	8	320	177
339.43	8	260	174
571.55	8	28	170
457.33	8	142	166
246.83	8	353	162
203.09	7	396	152
527.56	7	72	149
515.38	6	84	134
263.56	6	336	131

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

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
2555	102.75	617.42071	0.0000	0.94	[M+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			13
	102.76	599.40960	-18.0111	0.96	[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			17