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 10 Reference Ions Near m/z 561.3208
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007580 Reliable 561.3148 561.3147 ~ 561.3149
MzDiff: 0.6 ppm
Ergocornine (BioDeep_00000178778)
Formula: C31H39N5O5 (561.2951)
3.87 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000010616 Unavailable 561.3149 561.3149 ~ 561.3149
MzDiff: 0.2 ppm
Ergocornin (BioDeep_00000002617)
Formula: C31H39N5O5 (561.2951)
-2.09 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000008343 Unreliable 561.3155 561.3154 ~ 561.3156
MzDiff: 0.7 ppm
Ergocornine (BioDeep_00000178778)
Formula: C31H39N5O5 (561.2951)
5.32 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000060799 Unreliable 561.3144 561.3142 ~ 561.3147
MzDiff: 2.2 ppm
Ergocornine (BioDeep_00000178778)
Formula: C31H39N5O5 (561.2951)
1.78 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000011942 Unavailable 561.3149 561.3149 ~ 561.3149
MzDiff: 0.0 ppm
Ergocornin (BioDeep_00000002617)
Formula: C31H39N5O5 (561.2951)
-0.52 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000044451 Unavailable 561.3146 561.3146 ~ 561.3146
MzDiff: none
Ergocornine (BioDeep_00000178778)
Formula: C31H39N5O5 (561.2951)
-0.26 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000049584 Unreliable 561.3147 561.3147 ~ 561.3147
MzDiff: none
Ergocornin (BioDeep_00000002617)
Formula: C31H39N5O5 (561.2951)
1.84 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050939 Unreliable 561.3147 561.3147 ~ 561.3147
MzDiff: none
Ergocornin (BioDeep_00000002617)
Formula: C31H39N5O5 (561.2951)
0.55 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000059064 Unavailable 561.3147 561.3147 ~ 561.3147
MzDiff: none
Ergocornine (BioDeep_00000178778)
Formula: C31H39N5O5 (561.2951)
-0.66 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059451 Unreliable 561.3147 561.3147 ~ 561.3147
MzDiff: none
Ergocornine (BioDeep_00000178778)
Formula: C31H39N5O5 (561.2951)
1.15 (100%) Mus musculus
[UBERON:0002298] brainstem

Found 8 Sample Hits
Metabolite Species Sample
Ergocornine

Formula: C31H39N5O5 (561.2951)
Adducts: [M-H2O+NH4]+ (Ppm: 6.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

(5S,8S,10Ar)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Formula: C32H43N5O4 (561.3315)
Adducts: [M]+ (Ppm: 18.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

Ergocornine

Formula: C31H39N5O5 (561.2951)
Adducts: [M-H2O+NH4]+ (Ppm: 4.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

(5S,8S,10Ar)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Formula: C32H43N5O4 (561.3315)
Adducts: [M]+ (Ppm: 18.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

(5S,8S,10Ar)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Formula: C32H43N5O4 (561.3315)
Adducts: [M]+ (Ppm: 17.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

(5S,8S,10Ar)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Formula: C32H43N5O4 (561.3315)
Adducts: [M]+ (Ppm: 18.8)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

(5S,8S,10Ar)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Formula: C32H43N5O4 (561.3315)
Adducts: [M]+ (Ppm: 18.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

Ergocornine

Formula: C31H39N5O5 (561.2951)
Adducts: [M-H2O+NH4]+ (Ppm: 3.5)
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.