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 6 Reference Ions Near m/z 659.5075
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043213 Reliable 659.5145 659.5142 ~ 659.5147
MzDiff: 2.0 ppm
Acidissiminin (BioDeep_00000035657)
Formula: C43H65NO4 (659.4913)
6.06 (76%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043877 Reliable 659.5146 659.5146 ~ 659.5146
MzDiff: 0.1 ppm
DG(18:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0) (BioDeep_00000220902)
Formula: C41H70O6 (658.5172)
1.92 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000045846 Reliable 659.5146 659.5146 ~ 659.5146
MzDiff: 0.1 ppm
DG(18:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0) (BioDeep_00000220902)
Formula: C41H70O6 (658.5172)
1.92 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065746 Unreliable 659.5134 659.5131 ~ 659.5136
MzDiff: 1.9 ppm
Acidissiminin (BioDeep_00000035657)
Formula: C43H65NO4 (659.4913)
1.32 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000057922 Unreliable 659.5134 659.5133 ~ 659.5137
MzDiff: 1.6 ppm
Acidissiminin (BioDeep_00000035657)
Formula: C43H65NO4 (659.4913)
1.08 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000055920 Unavailable 659.5151 659.5151 ~ 659.5151
MzDiff: none
Acidissiminin (BioDeep_00000035657)
Formula: C43H65NO4 (659.4913)
-0.36 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 7 Sample Hits
Metabolite Species Sample
2-(3,7,11,15,19,23,27-Heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Formula: C44H66O4 (658.4961)
Adducts: [M+H]+ (Ppm: 11.7)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

2-(3,7,11,15,19,23,27-Heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Formula: C44H66O4 (658.4961)
Adducts: [M+H]+ (Ppm: 3.7)
Mus musculus (Liver)
Salmonella_final_pos_recal
Resolution: 17μm, 691x430

Description

A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium. [dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671.

2-(3,7,11,15,19,23,27-Heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Formula: C44H66O4 (658.4961)
Adducts: [M+H]+ (Ppm: 6.3)
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).

2-(3,7,11,15,19,23,27-Heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Formula: C44H66O4 (658.4961)
Adducts: [M+H]+ (Ppm: 10.7)
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).

Acidissiminin

Formula: C43H65NO4 (659.4913)
Adducts: [M-H2O+NH4]+ (Ppm: 1.8)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

Acidissiminin

Formula: C43H65NO4 (659.4913)
Adducts: [M-H2O+NH4]+ (Ppm: 2.7)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

Acidissiminin

Formula: C43H65NO4 (659.4913)
Adducts: [M-H2O+NH4]+ (Ppm: 1.7)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description