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 4 Reference Ions Near m/z 724.5542
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053562 Unreliable 724.5559 724.5559 ~ 724.5559
MzDiff: none
PC(16:0/18:1(9Z)) (BioDeep_00000017449)
Formula: C42H82NO8P (759.5778)
2.26 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000026624 Unreliable 724.5475 724.5472 ~ 724.5477
MzDiff: 2.0 ppm
SM(d17:2(4E,8Z)/18:2(10E,12Z)+=O(9)) (BioDeep_00000215420)
Formula: C40H73N2O7P (724.5155)
3.21 (50%) Mus musculus
[UBERON:0002048] lung
MSI_000020581 724.5442 724.5442 ~ 724.5442
MzDiff: none
DG(19:0/6 keto-PGF1alpha/0:0) (BioDeep_00000221074)
Formula: C42H76O9 (724.5489)
1.91 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000026816 Unreliable 724.5483 724.5483 ~ 724.5483
MzDiff: none
Pepstatin (BioDeep_00000182236)
Formula: C34H63N5O9 (685.4626)
1.79 (100%) Mus musculus
[UBERON:0002048] lung

Found 8 Sample Hits
Metabolite Species Sample
DG(19:0/6 keto-PGF1alpha/0:0)

Formula: C42H76O9 (724.5489)
Adducts: [M]+ (Ppm: 5.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

DG(19:0/6 keto-PGF1alpha/0:0)

Formula: C42H76O9 (724.5489)
Adducts: [M]+ (Ppm: 6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

CerP(d18:1/22:0)

Formula: C40H80NO6P (701.5723)
Adducts: [M+Na]+ (Ppm: 17.1)
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.

Pepstatin

Formula: C34H63N5O9 (685.4626)
Adducts: [M+K]+ (Ppm: 16.6)
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.

PC(16:0/18:1(9Z))

Formula: C42H82NO8P (759.5778)
Adducts: [M+H-2H2O]+ (Ppm: 10.9)
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.

PC(16:0/18:1(9Z))

Formula: C42H82NO8P (759.5778)
Adducts: [M+H-2H2O]+ (Ppm: 11.1)
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).

PC(16:0/18:1(9Z))

Formula: C42H82NO8P (759.5778)
Adducts: [M+H-2H2O]+ (Ppm: 13.4)
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).

Pepstatin

Formula: C34H63N5O9 (685.4626)
Adducts: [M+K]+ (Ppm: 17.5)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description