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 17 Reference Ions Near m/z 422.934
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006627 Reliable 422.9284 422.9283 ~ 422.9285
MzDiff: 1.0 ppm
Perfluorohexanesulfonic acid (BioDeep_00000018373)
Formula: C6HF13O3S (399.9439)
10.23 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000015502 Reliable 422.9283 422.9283 ~ 422.9283
MzDiff: 0.2 ppm
Diploicin (BioDeep_00000257643)
Formula: C16H10Cl4O5 (421.9282)
4.63 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000011092 Unreliable 422.9245 422.9245 ~ 422.9245
MzDiff: none
Benzbromarone (BioDeep_00000017954)
Formula: C17H12Br2O3 (421.9153)
2.19 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011118 Unreliable 422.9343 422.9343 ~ 422.9343
MzDiff: none
Perfluorohexanesulfonic acid (BioDeep_00000018373)
Formula: C6HF13O3S (399.9439)
2.04 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011279 Unreliable 422.9416 422.9416 ~ 422.9416
MzDiff: none
(2e)-3-(3,5-dibromo-4-methoxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid (BioDeep_00002159055)
Formula: C15H16Br2N4O3 (457.9589)
1.52 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000032645 Unreliable 422.9283 422.9283 ~ 422.9283
MzDiff: 0.1 ppm
Diploicin (BioDeep_00000257643)
Formula: C16H10Cl4O5 (421.9282)
1.42 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000039292 Unreliable 422.9283 422.9283 ~ 422.9283
MzDiff: 0.1 ppm
Diploicin (BioDeep_00000257643)
Formula: C16H10Cl4O5 (421.9282)
0.75 (100%) Posidonia oceanica
[PO:0005059] root endodermis
MSI_000000347 Unreliable 422.9416 422.9416 ~ 422.9416
MzDiff: none
(2e)-3-(3,5-dibromo-4-methoxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid (BioDeep_00002159055)
Formula: C15H16Br2N4O3 (457.9589)
0.6 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000363 Unreliable 422.9245 422.9245 ~ 422.9245
MzDiff: none
Benzbromarone (BioDeep_00000017954)
Formula: C17H12Br2O3 (421.9153)
0.47 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000401 Unreliable 422.9343 422.9343 ~ 422.9343
MzDiff: none
Perfluorohexanesulfonic acid (BioDeep_00000018373)
Formula: C6HF13O3S (399.9439)
0.09 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000013693 Unreliable 422.9281 422.9281 ~ 422.9281
MzDiff: none
Diploicin (BioDeep_00000257643)
Formula: C16H10Cl4O5 (421.9282)
0.37 (100%) Plant
[PO:0005417] phloem
MSI_000014541 Unreliable 422.9281 422.9281 ~ 422.9281
MzDiff: none
Diploicin (BioDeep_00000257643)
Formula: C16H10Cl4O5 (421.9282)
0.68 (100%) Plant
[PO:0006036] root epidermis
MSI_000019177 Unavailable 422.9281 422.9281 ~ 422.9281
MzDiff: none
Diploicin (BioDeep_00000257643)
Formula: C16H10Cl4O5 (421.9282)
-1.05 (100%) Plant
[PO:0020124] root stele
MSI_000019282 Unreliable 422.9281 422.9281 ~ 422.9281
MzDiff: none
Diploicin (BioDeep_00000257643)
Formula: C16H10Cl4O5 (421.9282)
1.07 (100%) Plant
[PO:0025197] stele
MSI_000032748 Unreliable 422.934 422.934 ~ 422.934
MzDiff: none
8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene (BioDeep_00002069310)
Formula: C10H10BrCl5 (383.8408)
0.38 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033929 Unreliable 422.934 422.934 ~ 422.934
MzDiff: none
8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene (BioDeep_00002069310)
Formula: C10H10BrCl5 (383.8408)
0.24 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000034656 Unreliable 422.9275 422.9275 ~ 422.9275
MzDiff: none
Diploicin (BioDeep_00000257643)
Formula: C16H10Cl4O5 (421.9282)
0.28 (100%) Posidonia oceanica
[PO:0006036] root epidermis

Found 4 Sample Hits
Metabolite Species Sample
Perfluorohexanesulfonic acid

Formula: C6HF13O3S (399.9439)
Adducts: [M+Na]+ (Ppm: 2.8)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

Benzbromarone

Formula: C17H12Br2O3 (421.9153)
Adducts: [M+H]+ (Ppm: 12.3)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene

Formula: C10H10BrCl5 (383.8408)
Adducts: [M+K]+ (Ppm: 10.9)
Posidonia oceanica (root)
20190614_MS1_A19r-20
Resolution: 17μm, 262x276

Description

Seagrasses are one of the most efficient natural sinks of carbon dioxide (CO2) on Earth. Despite covering less than 0.1% of coastal regions, they have the capacity to bury up to 10% of marine organic matter and can bury the same amount of carbon 35 times faster than tropical rainforests. On land, the soil’s ability to sequestrate carbon is intimately linked to microbial metabolism. Despite the growing attention to the link between plant production, microbial communities, and the carbon cycle in terrestrial ecosystems, these processes remain enigmatic in the sea. Here, we show that seagrasses excrete organic sugars, namely in the form of sucrose, into their rhizospheres. Surprisingly, the microbial communities living underneath meadows do not fully use this sugar stock in their metabolism. Instead, sucrose piles up in the sediments to mM concentrations underneath multiple types of seagrass meadows. Sediment incubation experiments show that microbial communities living underneath a meadow use sucrose at low metabolic rates. Our metagenomic analyses revealed that the distinct community of microorganisms occurring underneath meadows is limited in their ability to degrade simple sugars, which allows these compounds to persist in the environment over relatively long periods of time. Our findings reveal how seagrasses form blue carbon stocks despite the relatively small area they occupy. Unfortunately, anthropogenic disturbances are threatening the long-term persistence of seagrass meadows. Given that these sediments contain a large stock of sugars that heterotopic bacteria can degrade, it is even more important to protect these ecosystems from degradation.

Perfluorohexanesulfonic acid

Formula: C6HF13O3S (399.9439)
Adducts: [M+Na]+ (Ppm: 16.1)
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.