M/Z: 869.5094


Hit 2 annotations:  2,5-Bis[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid_[M+H]+; PG(20:2(11Z,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))_[M+H]+


在BioDeep NovoCell知识数据库中，参考离子总共被划分为4个级别。
  • Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
  • Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
  • Unreliable: 这个参考离子具有较高的排名价值，但缺乏可重复性。
  • Unavailable: 由于排名价值低且缺乏可重复性，这个参考离子不应用于注释。

Found 3 Reference Ions Near m/z 869.5094
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000065199 Unreliable 869.5097 869.5094 ~ 869.51
MzDiff: 2.5 ppm		 2,5-Bis[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid (BioDeep_00000183866)
Formula: C51H68N2O10 (868.4874)		 4.9 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000053326 Unreliable 869.5069 869.5069 ~ 869.5069
MzDiff: none		 2,5-Bis[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid (BioDeep_00000183866)
Formula: C51H68N2O10 (868.4874)		 2.67 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000044753 Unavailable 869.5135 869.5135 ~ 869.5135
MzDiff: none		 PG(20:2(11Z,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000194661)
Formula: C46H77O13P (868.5102)		 -0.45 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 7 Sample Hits
Metabolite Species Sample
2,5-Bis[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid

Formula: C51H68N2O10 (868.4874)
Adducts: [M+H]+ (Ppm: 14.1) 		Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
PG(20:2(11Z,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C46H77O13P (868.5102)
Adducts: [M+H]+ (Ppm: 8.5) 		Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
PG(20:2(11Z,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C46H77O13P (868.5102)
Adducts: [M+H]+ (Ppm: 10.5) 		Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

2,5-Bis[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid

Formula: C51H68N2O10 (868.4874)
Adducts: [M+H]+ (Ppm: 17.2) 		Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

2,5-Bis[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid

Formula: C51H68N2O10 (868.4874)
Adducts: [M+H]+ (Ppm: 17.7) 		Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

2,5-Bis[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid

Formula: C51H68N2O10 (868.4874)
Adducts: [M+H]+ (Ppm: 17) 		Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

2,5-Bis[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid

Formula: C51H68N2O10 (868.4874)
Adducts: [M+H]+ (Ppm: 17.9) 		Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description