ピーク情報

細ネギ（若香）地下部

neg

Peak #4989 MN MID: SE201_S21_M91

m/z: 867.47624, RT: 76.82, 強度: 14694, ログ強度: 0.66, アダクト: [M-H]-, 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: -

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	0.754	Strychnohexamine	KNApSAcK: C00037854
C45H72O16	868.48204	1.703	Astragaloside I	HMDB: HMDB0248673 KEGG: C17797 KNApSAcK: C00050007
C45H72O16	868.48204	1.703	Isoastragaloside I	HMDB: HMDB0253603 KEGG: C17793 KNApSAcK: C00050871
C45H72O16	868.48204	1.703	Dioscin	HMDB: HMDB0251433 KEGG: C08897 KNApSAcK: C00003575, C00029842, C00032538 LipidMAPS: LMST01080053
C45H72O16	868.48204	1.703	Desglucomusennin	KEGG: C08940 KNApSAcK: C00003514
C45H72O16	868.48204	1.703	Borassoside A	KNApSAcK: C00029838
C42H78O14P2	868.48668	-3.647	PGP(i-18:0/18:3(10,12,15)-OH(9))	HMDB: HMDB0275495
C42H78O14P2	868.48668	-3.647	PGP(i-18:0/18:2(10E,12Z)+=O(9))	HMDB: HMDB0275458
C42H78O14P2	868.48668	-3.647	PGP(i-18:0/18:3(9,11,15)-OH(13))	HMDB: HMDB0275497
C42H78O14P2	868.48668	-3.647	PGP(18:2(9Z,11E)+=O(13)/i-18:0)	HMDB: HMDB0275461
C42H78O14P2	868.48668	-3.647	PGP(18:2(9Z,11E)+=O(13)/18:0)	HMDB: HMDB0272553
C42H78O14P2	868.48668	-3.647	PGP(18:3(10,12,15)-OH(9)/18:0)	HMDB: HMDB0272589
C42H78O14P2	868.48668	-3.647	PGP(18:1(11Z)/18:1(9Z)-O(12,13))	HMDB: HMDB0272662
C42H78O14P2	868.48668	-3.647	PGP(18:3(9,11,15)-OH(13)/18:0)	HMDB: HMDB0272591
C42H78O14P2	868.48668	-3.647	PGP(18:1(12Z)-O(9S,10R)/18:1(11Z))	HMDB: HMDB0272661
C42H78O14P2	868.48668	-3.647	PGP(18:0/18:2(9Z,11E)+=O(13))	HMDB: HMDB0272552
C42H78O14P2	868.48668	-3.647	PGP(18:1(11Z)/18:1(12Z)-O(9S,10R))	HMDB: HMDB0272660
C42H78O14P2	868.48668	-3.647	PGP(i-18:0/18:2(9Z,11E)+=O(13))	HMDB: HMDB0275460
C42H78O14P2	868.48668	-3.647	PGP(16:0/20:3(6,8,11)-OH(5))	HMDB: HMDB0272390
C42H78O14P2	868.48668	-3.647	PGP(18:3(10,12,15)-OH(9)/i-18:0)	HMDB: HMDB0275496
C42H78O14P2	868.48668	-3.647	PGP(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))	HMDB: HMDB0272767
C42H78O14P2	868.48668	-3.647	PGP(18:0/18:3(10,12,15)-OH(9))	HMDB: HMDB0272588
C42H78O14P2	868.48668	-3.647	PGP(20:3(6,8,11)-OH(5)/16:0)	HMDB: HMDB0272391
C42H78O14P2	868.48668	-3.647	PGP(18:1(9Z)-O(12,13)/18:1(11Z))	HMDB: HMDB0272663
C42H78O14P2	868.48668	-3.647	PGP(20:3(6,8,11)-OH(5)/i-16:0)	HMDB: HMDB0275299
C42H78O14P2	868.48668	-3.647	PGP(i-16:0/20:3(6,8,11)-OH(5))	HMDB: HMDB0275298
C42H78O14P2	868.48668	-3.647	PGP(18:2(10E,12Z)+=O(9)/18:0)	HMDB: HMDB0272551
C42H78O14P2	868.48668	-3.647	PGP(18:1(12Z)-O(9S,10R)/18:1(9Z))	HMDB: HMDB0272765
C42H78O14P2	868.48668	-3.647	PGP(18:3(9,11,15)-OH(13)/i-18:0)	HMDB: HMDB0275498
C42H78O14P2	868.48668	-3.647	PGP(18:0/18:3(9,11,15)-OH(13))	HMDB: HMDB0272590
C42H78O14P2	868.48668	-3.647	PGP(18:1(9Z)/18:1(9Z)-O(12,13))	HMDB: HMDB0272766
C42H78O14P2	868.48668	-3.647	PGP(18:2(10E,12Z)+=O(9)/i-18:0)	HMDB: HMDB0275459
C42H78O14P2	868.48668	-3.647	PGP(18:1(9Z)/18:1(12Z)-O(9S,10R))	HMDB: HMDB0272764
C42H78O14P2	868.48668	-3.647	PGP(18:0/18:2(10E,12Z)+=O(9))	HMDB: HMDB0272550
C51H68O10N2	868.48740	-4.469	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: 867.47638

Splash: splash10-00di-0000000900-f66962b81458a8076e62

m/z	Int.	NL	Rel.Int.
721.41	5080	146	1000
722.46	3692	145	726

Level: 3, プリカーサーm/z: 721.41486

Splash: splash10-004i-0040090000-5c5db242f25290b6275a

m/z	Int.	NL	Rel.Int.
575.14	20	146	1000
246.89	11	475	556
575.78	4	146	215

Level: 3, プリカーサーm/z: 722.37988

Splash: splash10-056s-0095080000-f7c040c683bf82432214

m/z	Int.	NL	Rel.Int.
247.02	18	475	1000
575.21	15	147	860
306.77	14	416	785
205.00	8	517	433
576.20	7	146	401
509.24	4	213	219
325.10	2	397	135
202.15	2	520	126

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

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	共有数
	76.81	903.45303	35.9768	0.09	[M+HCl-H]-	(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	2
4989	76.82	867.47624	0.0000	0.66	[M-H]-	(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	2