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 12 Reference Ions Near m/z 465.326
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000065135 Reliable 465.3176 465.3174 ~ 465.3179
MzDiff: 2.1 ppm
Adouetine X (BioDeep_00000019570)
Formula: C28H44N4O4 (500.3362)
5.87 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000015921 Unreliable 465.3342 465.3342 ~ 465.3343
MzDiff: 0.2 ppm
Glycocholic acid (BioDeep_00000000126)
Formula: C26H43NO6 (465.309)
3.01 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000043232 Unreliable 465.3178 465.3177 ~ 465.318
MzDiff: 0.9 ppm
Adouetine X (BioDeep_00000019570)
Formula: C28H44N4O4 (500.3362)
6.13 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047748 Unreliable 465.3169 465.3169 ~ 465.3169
MzDiff: none
Ecdysone (BioDeep_00000178603)
Formula: C27H44O6 (464.3138)
2.13 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000025465 Unreliable 465.333 465.333 ~ 465.333
MzDiff: 0.0 ppm
Glycocholic acid (BioDeep_00000000126)
Formula: C26H43NO6 (465.309)
3.36 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000012903 Unavailable 465.3347 465.3347 ~ 465.3347
MzDiff: none
Glycocholic acid (BioDeep_00000000126)
Formula: C26H43NO6 (465.309)
-0.52 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014031 Unavailable 465.3347 465.3347 ~ 465.3347
MzDiff: none
Glycocholic acid (BioDeep_00000000126)
Formula: C26H43NO6 (465.309)
-0.24 (100%) Plant
[PO:0005417] phloem
MSI_000015035 Unavailable 465.3347 465.3347 ~ 465.3347
MzDiff: none
Glycocholic acid (BioDeep_00000000126)
Formula: C26H43NO6 (465.309)
-0.53 (100%) Plant
[PO:0006036] root epidermis
MSI_000018396 Unreliable 465.3347 465.3347 ~ 465.3347
MzDiff: none
Glycocholic acid (BioDeep_00000000126)
Formula: C26H43NO6 (465.309)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000019849 Unavailable 465.3347 465.3347 ~ 465.3347
MzDiff: none
Glycocholic acid (BioDeep_00000000126)
Formula: C26H43NO6 (465.309)
-0.48 (100%) Plant
[PO:0025197] stele
MSI_000037652 Unreliable 465.334 465.334 ~ 465.334
MzDiff: none
Glycocholic acid (BioDeep_00000000126)
Formula: C26H43NO6 (465.309)
0.54 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000044654 Unavailable 465.3305 465.3305 ~ 465.3305
MzDiff: none
Glycocholic acid (BioDeep_00000000126)
Formula: C26H43NO6 (465.309)
-0.41 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 8 Sample Hits
Metabolite Species Sample
Glycocholic acid

Formula: C26H43NO6 (465.309)
Adducts: [M-H2O+NH4]+ (Ppm: 1.5)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

Glycocholic acid

Formula: C26H43NO6 (465.309)
Adducts: [M-H2O+NH4]+ (Ppm: 1.5)
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.

Glycocholic acid

Formula: C26H43NO6 (465.309)
Adducts: [M]+ (Ppm: 19)
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.

Glycocholic acid

Formula: C26H43NO6 (465.309)
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.

Glycocholic acid

Formula: C26H43NO6 (465.309)
Adducts: [M-H2O+NH4]+ (Ppm: 7.9)
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).

Glycocholic acid

Formula: C26H43NO6 (465.309)
Adducts: [M-H2O+NH4]+ (Ppm: 16.5)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

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).

Glycocholic acid

Formula: C26H43NO6 (465.309)
Adducts: [M-H2O+NH4]+ (Ppm: 13.5)
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).

Adouetine X

Formula: C28H44N4O4 (500.3362)
Adducts: [M+H-2H2O]+ (Ppm: 5.3)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description