ピーク情報

ヒメツリガネゴケ　茎葉体（ガメトフォア）

pos

Peak #4185 MN MID: SE205_S04_M90

m/z: 889.45706, RT: 87.29, 強度: 8401, ログ強度: 0.50, 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: (85 names) Malonylsaikosaponin A;Meliosmoside A;Sansevistatin 1;(-)-Sansevistatin 1;PGP(20:3(5Z,8Z,11Z)-O(14R,15S)/i-16:0);PGP(i-16:0/20:3(5Z,8Z,11Z)-O(14R,15S));PGP(18:1(11Z)/18:2(10E,12Z)+=O(9));PGP(i-16:0/20:...

DBごとのヒット数: ALL 84 KN 3 HM 81

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
C45H70O16	866.46639	1.677	Malonylsaikosaponin A	KNApSAcK: C00051448, C00051449
C45H70O16	866.46639	1.677	Meliosmoside A	KNApSAcK: C00053470
C45H70O16	866.46639	1.677	Sansevistatin 1	KNApSAcK: C00042935
C42H76O14P2	866.47103	-3.686	PGP(20:3(5Z,8Z,11Z)-O(14R,15S)/i-16:0)	HMDB: HMDB0275198
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:3(5Z,8Z,11Z)-O(14R,15S))	HMDB: HMDB0275197
C42H76O14P2	866.47103	-3.686	PGP(18:1(11Z)/18:2(10E,12Z)+=O(9))	HMDB: HMDB0272654
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(5Z,8Z,11Z,14Z)-OH(18R))	HMDB: HMDB0275211
C42H76O14P2	866.47103	-3.686	PGP(20:3(8Z,11Z,14Z)-O(5,6)/16:0)	HMDB: HMDB0272296
C42H76O14P2	866.47103	-3.686	PGP(18:2(9Z,12Z)/18:1(9Z)-O(12,13))	HMDB: HMDB0272973
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:4(5Z,8Z,11Z,13E)-OH(15S))	HMDB: HMDB0272308
C42H76O14P2	866.47103	-3.686	PGP(20:4(6E,8Z,11Z,14Z)-OH(5S)/i-16:0)	HMDB: HMDB0275208
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(5Z,8Z,11Z,14Z)-OH(16R))	HMDB: HMDB0275215
C42H76O14P2	866.47103	-3.686	PGP(20:3(6,8,11)-OH(5)/16:1(9Z))	HMDB: HMDB0272495
C42H76O14P2	866.47103	-3.686	PGP(20:3(5Z,8Z,14Z)-O(11S,12R)/16:0)	HMDB: HMDB0272292
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(5Z,8Z,10E,14Z)-OH(12S))	HMDB: HMDB0275219
C42H76O14P2	866.47103	-3.686	PGP(18:2(9Z,12Z)/18:1(12Z)-O(9S,10R))	HMDB: HMDB0272971
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:3(5Z,11Z,14Z)-O(8,9))	HMDB: HMDB0275201
C42H76O14P2	866.47103	-3.686	PGP(18:3(10,12,15)-OH(9)/18:1(9Z))	HMDB: HMDB0272796
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(16R)/16:0)	HMDB: HMDB0272307
C42H76O14P2	866.47103	-3.686	PGP(18:2(9Z,11E)+=O(13)/18:1(9Z))	HMDB: HMDB0272761
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(19S)/i-16:0)	HMDB: HMDB0275210
C42H76O14P2	866.47103	-3.686	PGP(20:3(5Z,8Z,14Z)-O(11S,12R)/i-16:0)	HMDB: HMDB0275200
C42H76O14P2	866.47103	-3.686	PGP(18:1(11Z)/18:2(9Z,11E)+=O(13))	HMDB: HMDB0272656
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(18R)/16:0)	HMDB: HMDB0272303
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(5E,8Z,12Z,14Z)-OH(11R))	HMDB: HMDB0275221
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(5Z,7E,11Z,14Z)-OH(9))	HMDB: HMDB0275223
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:4(5Z,8Z,11Z,14Z)-OH(16R))	HMDB: HMDB0272306
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(6E,8Z,11Z,14Z)-OH(5S))	HMDB: HMDB0275207
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:4(5Z,8Z,11Z,14Z)-OH(18R))	HMDB: HMDB0272302
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,13E)-OH(15S)/16:0)	HMDB: HMDB0272309
C42H76O14P2	866.47103	-3.686	PGP(18:1(9Z)/18:3(9,11,15)-OH(13))	HMDB: HMDB0272797
C42H76O14P2	866.47103	-3.686	PGP(18:1(9Z)-O(12,13)/18:2(9Z,12Z))	HMDB: HMDB0272974
C42H76O14P2	866.47103	-3.686	PGP(18:1(11Z)/18:3(9,11,15)-OH(13))	HMDB: HMDB0272694
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(5Z,8Z,11Z,13E)-OH(15S))	HMDB: HMDB0275217
C42H76O14P2	866.47103	-3.686	PGP(18:2(9Z,11Z)/18:1(9Z)-O(12,13))	HMDB: HMDB0272869
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:4(5Z,8Z,11Z,14Z)-OH(17))	HMDB: HMDB0272304
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:3(8Z,11Z,14Z)-O(5,6))	HMDB: HMDB0275203
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,7E,11Z,14Z)-OH(9)/16:0)	HMDB: HMDB0272315
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:3(8Z,11Z,14Z)-O(5,6))	HMDB: HMDB0272295
C42H76O14P2	866.47103	-3.686	PGP(20:3(5Z,11Z,14Z)-O(8,9)/16:0)	HMDB: HMDB0272294
C42H76O14P2	866.47103	-3.686	PGP(18:1(9Z)/18:2(10E,12Z)+=O(9))	HMDB: HMDB0272758
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:3(5Z,11Z,14Z)-O(8,9))	HMDB: HMDB0272293
C42H76O14P2	866.47103	-3.686	PGP(18:1(12Z)-O(9S,10R)/18:2(9Z,11Z))	HMDB: HMDB0272868
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:4(5Z,7E,11Z,14Z)-OH(9))	HMDB: HMDB0272314
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(5Z,8Z,11Z,14Z)-OH(20))	HMDB: HMDB0275205
C42H76O14P2	866.47103	-3.686	PGP(18:1(9Z)/18:3(10,12,15)-OH(9))	HMDB: HMDB0272795
C42H76O14P2	866.47103	-3.686	PGP(18:1(9Z)/18:2(9Z,11E)+=O(13))	HMDB: HMDB0272760
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(19S)/16:0)	HMDB: HMDB0272301
C42H76O14P2	866.47103	-3.686	PGP(18:3(10,12,15)-OH(9)/18:1(11Z))	HMDB: HMDB0272693
C42H76O14P2	866.47103	-3.686	PGP(18:2(9Z,11E)+=O(13)/18:1(11Z))	HMDB: HMDB0272657
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:3(5Z,8Z,14Z)-O(11S,12R))	HMDB: HMDB0272291
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,7E,11Z,14Z)-OH(9)/i-16:0)	HMDB: HMDB0275224
C42H76O14P2	866.47103	-3.686	PGP(18:1(9Z)-O(12,13)/18:2(9Z,11Z))	HMDB: HMDB0272870
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(5Z,8Z,11Z,14Z)-OH(17))	HMDB: HMDB0275213
C42H76O14P2	866.47103	-3.686	PGP(18:1(11Z)/18:3(10,12,15)-OH(9))	HMDB: HMDB0272692
C42H76O14P2	866.47103	-3.686	PGP(20:3(5Z,8Z,11Z)-O(14R,15S)/16:0)	HMDB: HMDB0260454
C42H76O14P2	866.47103	-3.686	PGP(18:3(9,11,15)-OH(13)/18:1(9Z))	HMDB: HMDB0272798
C42H76O14P2	866.47103	-3.686	PGP(20:4(5E,8Z,12Z,14Z)-OH(11R)/i-16:0)	HMDB: HMDB0275222
C42H76O14P2	866.47103	-3.686	PGP(18:2(10E,12Z)+=O(9)/18:1(11Z))	HMDB: HMDB0272655
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:4(5Z,8Z,11Z,14Z)-OH(20))	HMDB: HMDB0272297
C42H76O14P2	866.47103	-3.686	PGP(20:3(5Z,11Z,14Z)-O(8,9)/i-16:0)	HMDB: HMDB0275202
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,13E)-OH(15S)/i-16:0)	HMDB: HMDB0275218
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:4(5Z,8Z,11Z,14Z)-OH(19S))	HMDB: HMDB0275209
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(20)/i-16:0)	HMDB: HMDB0275206
C42H76O14P2	866.47103	-3.686	PGP(18:2(9Z,11Z)/18:1(12Z)-O(9S,10R))	HMDB: HMDB0272867
C42H76O14P2	866.47103	-3.686	PGP(18:3(9,11,15)-OH(13)/18:1(11Z))	HMDB: HMDB0272695
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(20)/16:0)	HMDB: HMDB0272298
C42H76O14P2	866.47103	-3.686	PGP(20:3(8Z,11Z,14Z)-O(5,6)/i-16:0)	HMDB: HMDB0275204
C42H76O14P2	866.47103	-3.686	PGP(18:1(12Z)-O(9S,10R)/18:2(9Z,12Z))	HMDB: HMDB0272972
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:4(5Z,8Z,10E,14Z)-OH(12S))	HMDB: HMDB0272310
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,10E,14Z)-OH(12S)/i-16:0)	HMDB: HMDB0275220
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(17)/i-16:0)	HMDB: HMDB0275214
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))	HMDB: HMDB0260453
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(17)/16:0)	HMDB: HMDB0272305
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(16R)/i-16:0)	HMDB: HMDB0275216
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:4(5Z,8Z,11Z,14Z)-OH(19S))	HMDB: HMDB0272300
C42H76O14P2	866.47103	-3.686	PGP(20:4(6E,8Z,11Z,14Z)-OH(5S)/16:0)	HMDB: HMDB0272299
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,11Z,14Z)-OH(18R)/i-16:0)	HMDB: HMDB0275212
C42H76O14P2	866.47103	-3.686	PGP(16:1(9Z)/20:3(6,8,11)-OH(5))	HMDB: HMDB0272494
C42H76O14P2	866.47103	-3.686	PGP(18:2(10E,12Z)+=O(9)/18:1(9Z))	HMDB: HMDB0272759
C42H76O14P2	866.47103	-3.686	PGP(20:4(5Z,8Z,10E,14Z)-OH(12S)/16:0)	HMDB: HMDB0272311
C42H76O14P2	866.47103	-3.686	PGP(16:0/20:4(5E,8Z,12Z,14Z)-OH(11R))	HMDB: HMDB0272312
C42H76O14P2	866.47103	-3.686	PGP(20:4(5E,8Z,12Z,14Z)-OH(11R)/16:0)	HMDB: HMDB0272313
C42H76O14P2	866.47103	-3.686	PGP(i-16:0/20:3(5Z,8Z,14Z)-O(11S,12R))	HMDB: HMDB0275199

MSnスペクトル情報

Level: 2, プリカーサーm/z: 889.45703

Splash: splash10-001i-0000009000-46cc42b8ae27706a9c6a

m/z	Int.	NL	Rel.Int.
681.44	9966	208	1000
611.32	2384	278	239
727.50	978	162	98
682.38	792	207	79

Level: 3, プリカーサーm/z: 681.43658

Splash: splash10-014i-0000190000-435ff589278a83aa4b5e

m/z	Int.	NL	Rel.Int.
519.36	2791	162	1000
405.23	512	276	183
347.22	287	334	102
520.42	153	161	54

Level: 3, プリカーサーm/z: 611.35553

Splash: splash10-0002-0000900000-a7ec310af77bcc38202e

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Glu))-B(2OH)	Flavone	Lucenin 2
[Isoflavone]-A(2OH, 2(C-Glu))-B(2OH)	Isoflavone	Orobol 6,8-di-C-glucoside
[Flavone]-A(2OH, 1(1(O-(E)-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-caffeate
[Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-caffeate
[Flavone]-A(2OH, 1((O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-caffeate
[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	859	162	1000
405.28	140	206	162
465.23	92	146	107
583.33	89	28	103
439.24	53	172	61
421.22	49	190	57

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
4185	87.29	889.45706	0.0000	0.50	[M+Na]+	(85 names) Malonylsaikosaponin A; Meliosmoside A; Sansevistatin 1; (-)-Sansevistatin 1; PGP(20:3(5Z,8Z,11Z)-O(14R,15S)/i-16:0); PGP(i-16:0/20:3(5Z,8Z,11Z)-O(14R,15S)); PGP(18:1(11Z)/18:2(10E,12Z)+=O(9)); PGP(i-16:0/20:...	ALL 84 KN 3 HM 81	MS2 MS3 x 2			2
	87.28	884.50125	-4.9558	0.77	[M+NH4]+	(85 names) Malonylsaikosaponin A; Meliosmoside A; Sansevistatin 1; (-)-Sansevistatin 1; PGP(20:3(5Z,8Z,11Z)-O(14R,15S)/i-16:0); PGP(i-16:0/20:3(5Z,8Z,11Z)-O(14R,15S)); PGP(18:1(11Z)/18:2(10E,12Z)+=O(9)); PGP(i-16:0/20:...	ALL 84 KN 3 HM 81				2