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 448.3497
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000008122 Reliable 448.3422 448.3421 ~ 448.3423
MzDiff: 0.8 ppm
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-HOCA) (BioDeep_00000011650)
Formula: C27H42O4 (430.3083)
15.92 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000054943 Unreliable 448.3472 448.3472 ~ 448.3472
MzDiff: none
LysoSM(d18:1) (BioDeep_00000005266)
Formula: C23H50N2O5P+ (465.3457)
1.61 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000004114 Unreliable 448.3497 448.3497 ~ 448.3497
MzDiff: none
Sintaxanthin (BioDeep_00000021167)
Formula: C31H42O (430.3235)
1.02 (100%) Homo sapiens
[UBERON:0002107] liver

Found 7 Sample Hits
Metabolite Species Sample
N-Eicosapentaenoyl Lysine

Formula: C26H42N2O3 (430.3195)
Adducts: [M+NH4]+ (Ppm: 5.2)
Marker Pen (NA)
3ul_0.8Mpa_RAW_20241016-PAPER PNMK
Resolution: 30μm, 315x42

Description

By writing the four English letters “PNMK” on white paper with a marker pen, and then scanning with a DESI ion source to obtain the scanning result. The signal of the chemical substances on the marker pen used appears on the channel with an m/z value of 322.1918, 323.1953, 546.4010, and etc, from the single cell deconvolution sampling layer class_4. This test data was tested by chuxiaoping from PANOMIX’s R&D laboratory.

Sintaxanthin

Formula: C31H42O (430.3235)
Adducts: [M+NH4]+ (Ppm: 17.1)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

7-alpha-hydroxy-3-oxo-4-cholestenoate (7-HOCA)

Formula: C27H42O4 (430.3083)
Adducts: [M+NH4]+ (Ppm: 0.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

7-alpha-hydroxy-3-oxo-4-cholestenoate (7-HOCA)

Formula: C27H42O4 (430.3083)
Adducts: [M+NH4]+ (Ppm: 0.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

LysoSM(d18:1)

Formula: C23H50N2O5P+ (465.3457)
Adducts: [M+H-H2O]+ (Ppm: 10.6)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

7-alpha-hydroxy-3-oxo-4-cholestenoate (7-HOCA)

Formula: C27H42O4 (430.3083)
Adducts: [M+NH4]+ (Ppm: 3.6)
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.

N-[2,6-Di(propan-2-yl)phenyl]-2-tetradecylsulfanylacetamide

Formula: C28H49NOS (447.3535)
Adducts: [M+H]+ (Ppm: 10.6)
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.