ピーク情報

ヒメツリガネゴケ　茎葉体（ガメトフォア）

pos

Peak #4217 MN MID: SE205_S04_M90

m/z: 891.47305, RT: 91.86, 強度: 3083, ログ強度: 0.07, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (36 names) Strychnohexamine;Astragaloside I;Isoastragaloside I;Dioscin;Desglucomusennin;Borassoside A;(-)-Borassoside A;PGP(i-18:0/18:3(10,12,15)-OH(9));PGP(i-18:0/18:2(10E,12Z)+=O(9));PGP(i-18:0/18:3(9,11,15)-O...

DBごとのヒット数: ALL 35 KG 4 KN 3 HM 28

FlavonoidSearch最大スコア MS2: -, MS3: 0.091

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
C59H60ON6	868.48286	1.115	Strychnohexamine	KNApSAcK: C00037854
C45H72O16	868.48204	2.064	Astragaloside I	HMDB: HMDB0248673 KEGG: C17797 KNApSAcK: C00050007
C45H72O16	868.48204	2.064	Isoastragaloside I	HMDB: HMDB0253603 KEGG: C17793 KNApSAcK: C00050871
C45H72O16	868.48204	2.064	Dioscin	HMDB: HMDB0251433 KEGG: C08897 KNApSAcK: C00003575, C00029842, C00032538 LipidMAPS: LMST01080053
C45H72O16	868.48204	2.064	Desglucomusennin	KEGG: C08940 KNApSAcK: C00003514
C45H72O16	868.48204	2.064	Borassoside A	KNApSAcK: C00029838
C42H78O14P2	868.48668	-3.286	PGP(i-18:0/18:3(10,12,15)-OH(9))	HMDB: HMDB0275495
C42H78O14P2	868.48668	-3.286	PGP(i-18:0/18:2(10E,12Z)+=O(9))	HMDB: HMDB0275458
C42H78O14P2	868.48668	-3.286	PGP(i-18:0/18:3(9,11,15)-OH(13))	HMDB: HMDB0275497
C42H78O14P2	868.48668	-3.286	PGP(18:2(9Z,11E)+=O(13)/i-18:0)	HMDB: HMDB0275461
C42H78O14P2	868.48668	-3.286	PGP(18:2(9Z,11E)+=O(13)/18:0)	HMDB: HMDB0272553
C42H78O14P2	868.48668	-3.286	PGP(18:3(10,12,15)-OH(9)/18:0)	HMDB: HMDB0272589
C42H78O14P2	868.48668	-3.286	PGP(18:1(11Z)/18:1(9Z)-O(12,13))	HMDB: HMDB0272662
C42H78O14P2	868.48668	-3.286	PGP(18:3(9,11,15)-OH(13)/18:0)	HMDB: HMDB0272591
C42H78O14P2	868.48668	-3.286	PGP(18:1(12Z)-O(9S,10R)/18:1(11Z))	HMDB: HMDB0272661
C42H78O14P2	868.48668	-3.286	PGP(18:0/18:2(9Z,11E)+=O(13))	HMDB: HMDB0272552
C42H78O14P2	868.48668	-3.286	PGP(18:1(11Z)/18:1(12Z)-O(9S,10R))	HMDB: HMDB0272660
C42H78O14P2	868.48668	-3.286	PGP(i-18:0/18:2(9Z,11E)+=O(13))	HMDB: HMDB0275460
C42H78O14P2	868.48668	-3.286	PGP(16:0/20:3(6,8,11)-OH(5))	HMDB: HMDB0272390
C42H78O14P2	868.48668	-3.286	PGP(18:3(10,12,15)-OH(9)/i-18:0)	HMDB: HMDB0275496
C42H78O14P2	868.48668	-3.286	PGP(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))	HMDB: HMDB0272767
C42H78O14P2	868.48668	-3.286	PGP(18:0/18:3(10,12,15)-OH(9))	HMDB: HMDB0272588
C42H78O14P2	868.48668	-3.286	PGP(20:3(6,8,11)-OH(5)/16:0)	HMDB: HMDB0272391
C42H78O14P2	868.48668	-3.286	PGP(18:1(9Z)-O(12,13)/18:1(11Z))	HMDB: HMDB0272663
C42H78O14P2	868.48668	-3.286	PGP(20:3(6,8,11)-OH(5)/i-16:0)	HMDB: HMDB0275299
C42H78O14P2	868.48668	-3.286	PGP(i-16:0/20:3(6,8,11)-OH(5))	HMDB: HMDB0275298
C42H78O14P2	868.48668	-3.286	PGP(18:2(10E,12Z)+=O(9)/18:0)	HMDB: HMDB0272551
C42H78O14P2	868.48668	-3.286	PGP(18:1(12Z)-O(9S,10R)/18:1(9Z))	HMDB: HMDB0272765
C42H78O14P2	868.48668	-3.286	PGP(18:3(9,11,15)-OH(13)/i-18:0)	HMDB: HMDB0275498
C42H78O14P2	868.48668	-3.286	PGP(18:0/18:3(9,11,15)-OH(13))	HMDB: HMDB0272590
C42H78O14P2	868.48668	-3.286	PGP(18:1(9Z)/18:1(9Z)-O(12,13))	HMDB: HMDB0272766
C42H78O14P2	868.48668	-3.286	PGP(18:2(10E,12Z)+=O(9)/i-18:0)	HMDB: HMDB0275459
C42H78O14P2	868.48668	-3.286	PGP(18:1(9Z)/18:1(12Z)-O(9S,10R))	HMDB: HMDB0272764
C42H78O14P2	868.48668	-3.286	PGP(18:0/18:2(10E,12Z)+=O(9))	HMDB: HMDB0272550
C51H68O10N2	868.48740	-4.107	SMTP 7	HMDB: HMDB0258348 KNApSAcK: C00014994, C00015504

MSnスペクトル情報

Level: 2, プリカーサーm/z: 891.46991

Splash: splash10-001i-0000009000-47d1ba8b14f356a40368

m/z	Int.	NL	Rel.Int.
683.45	7114	208	1000
611.33	1547	280	217
684.45	679	207	95
729.44	585	162	82

Level: 3, プリカーサーm/z: 683.44965

Splash: splash10-00di-0000190000-ff89edcb1a2764f2351f

m/z	Int.	NL	Rel.Int.
521.42	2227	162	1000
405.28	500	278	224
347.18	216	336	96
522.53	149	161	66

Level: 3, プリカーサーm/z: 611.33008

Splash: splash10-0002-0000900000-83fed151706c037578e2

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Flavone]-A(2OH, 2(C-Glu))-B(2OH)	Flavone	Lucenin 2
0.091	[Isoflavone]-A(2OH, 2(C-Glu))-B(2OH)	Isoflavone	Orobol 6,8-di-C-glucoside
0.000	[Flavone]-A(2OH, 1(1(O-(E)-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-caffeate
0.000	[Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-caffeate
0.000	[Flavone]-A(2OH, 1((O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-caffeate
0.000	[Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-caffeate

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

m/z	Int.	NL	Rel.Int.
449.23	627	162	1000
405.16	66	206	105
465.30	60	146	95
439.16	42	172	66
545.20	41	66	65
583.19	37	28	59

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
4217	91.86	891.47305	0.0000	0.07	[M+Na]+	(36 names) Strychnohexamine; Astragaloside I; Isoastragaloside I; Dioscin; Desglucomusennin; Borassoside A; (-)-Borassoside A; PGP(i-18:0/18:3(10,12,15)-OH(9)); PGP(i-18:0/18:2(10E,12Z)+=O(9)); PGP(i-18:0/18:3(9,11,15)-O...	ALL 35 KG 4 KN 3 HM 28	MS2 MS3 x 2		0.091	2
	91.90	886.51745	-4.9556	0.35	[M+NH4]+	(36 names) Strychnohexamine; Astragaloside I; Isoastragaloside I; Dioscin; Desglucomusennin; Borassoside A; (-)-Borassoside A; PGP(i-18:0/18:3(10,12,15)-OH(9)); PGP(i-18:0/18:2(10E,12Z)+=O(9)); PGP(i-18:0/18:3(9,11,15)-O...	ALL 35 KG 4 KN 3 HM 28				2