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 19 Reference Ions Near m/z 383.084
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000015739 Unreliable 383.0843 383.0843 ~ 383.0843
MzDiff: 0.1 ppm
Lophirone D (BioDeep_00000269763)
Formula: C24H16O6 (400.0947)
3.51 (60%) Vitis vinifera
[PO:0009085] exocarp
MSI_000034893 Unreliable 383.0839 383.0836 ~ 383.084
MzDiff: 1.6 ppm
Pinocembrin 7-O-benzoate (BioDeep_00000259514)
Formula: C22H16O5 (360.0998)
1.7 (60%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000016505 Unreliable 383.0772 383.0771 ~ 383.0774
MzDiff: 1.2 ppm
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
0.76 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000032170 Unreliable 383.0837 383.0836 ~ 383.0839
MzDiff: 1.4 ppm
11-chloro-12,13-dihydroxy-5-(1-hydroxyethyl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione (BioDeep_00002176316)
Formula: C18H21ClO8 (400.0925)
3.72 (50%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000004079 Unreliable 383.0759 383.0759 ~ 383.0759
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
1.06 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000004321 Unreliable 383.0847 383.0847 ~ 383.0847
MzDiff: none
Brinzolamide (BioDeep_00000006594)
Formula: C12H21N3O5S3 (383.0643)
0.77 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000013175 Unavailable 383.0773 383.0773 ~ 383.0773
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
-0.78 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013631 Unreliable 383.0773 383.0773 ~ 383.0773
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
0.53 (100%) Plant
[PO:0005417] phloem
MSI_000014632 Unreliable 383.0773 383.0773 ~ 383.0773
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
0.19 (100%) Plant
[PO:0006036] root epidermis
MSI_000019222 Unreliable 383.0773 383.0773 ~ 383.0773
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
1.27 (100%) Plant
[PO:0025197] stele
MSI_000025865 Unreliable 383.0843 383.0843 ~ 383.0843
MzDiff: none
Brinzolamide (BioDeep_00000006594)
Formula: C12H21N3O5S3 (383.0643)
2.04 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000032225 Unreliable 383.0769 383.0769 ~ 383.0769
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
2.16 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033882 Unreliable 383.0836 383.0836 ~ 383.0836
MzDiff: none
11-chloro-12,13-dihydroxy-5-(1-hydroxyethyl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione (BioDeep_00002176316)
Formula: C18H21ClO8 (400.0925)
0.33 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000033901 Unreliable 383.0769 383.0769 ~ 383.0769
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
0.29 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000034922 Unavailable 383.0769 383.0769 ~ 383.0769
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
-0.31 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000035330 Unreliable 383.0769 383.0769 ~ 383.0769
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
0.49 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000035471 Unreliable 383.0836 383.0836 ~ 383.0836
MzDiff: none
11-chloro-12,13-dihydroxy-5-(1-hydroxyethyl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione (BioDeep_00002176316)
Formula: C18H21ClO8 (400.0925)
0.07 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037556 Unreliable 383.0769 383.0769 ~ 383.0769
MzDiff: none
(+)-12a-Hydroxypachyrrhizone (BioDeep_00000021678)
Formula: C20H14O8 (382.0689)
0.99 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000038274 Unreliable 383.0862 383.0862 ~ 383.0862
MzDiff: none
Cibarian (BioDeep_00000006802)
Formula: C12H18N2O12 (382.086)
1.5 (100%) Posidonia oceanica
[PO:0005020] vascular bundle

Found 15 Sample Hits
Metabolite Species Sample
Brinzolamide

Formula: C12H21N3O5S3 (383.0643)
Adducts: [M-H2O+NH4]+ (Ppm: 7.5)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

Lophirone D

Formula: C24H16O6 (400.0947)
Adducts: [M+H-H2O]+ (Ppm: 18.5)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

Lophirone D

Formula: C24H16O6 (400.0947)
Adducts: [M+H-H2O]+ (Ppm: 19.6)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

11-chloro-12,13-dihydroxy-5-(1-hydroxyethyl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione

Formula: C18H21ClO8 (400.0925)
Adducts: [M+H-H2O]+ (Ppm: 12.8)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Brinzolamide

Formula: C12H21N3O5S3 (383.0643)
Adducts: [M-H2O+NH4]+ (Ppm: 8.6)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

Brinzolamide

Formula: C12H21N3O5S3 (383.0643)
Adducts: [M-H2O+NH4]+ (Ppm: 6.2)
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.

Brinzolamide

Formula: C12H21N3O5S3 (383.0643)
Adducts: [M-H2O+NH4]+ (Ppm: 7.8)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

11-chloro-12,13-dihydroxy-5-(1-hydroxyethyl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione

Formula: C18H21ClO8 (400.0925)
Adducts: [M+H-H2O]+ (Ppm: 14.6)
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.

Pinocembrin 7-O-benzoate

Formula: C22H16O5 (360.0998)
Adducts: [M+Na]+ (Ppm: 13)
Posidonia oceanica (root)
20190822_MS1_A19r-19
Resolution: 17μm, 303x309

Description

Seagrasses are among the most efficient sinks of carbon dioxide on Earth. While carbon sequestration in terrestrial plants is linked to the microorganisms living in their soils, the interactions of seagrasses with their rhizospheres are poorly understood. Here, we show that the seagrass, Posidonia oceanica excretes sugars, mainly sucrose, into its rhizosphere. These sugars accumulate to µM concentrations—nearly 80 times higher than previously observed in marine environments. This finding is unexpected as sugars are readily consumed by microorganisms. Our experiments indicated that under low oxygen conditions, phenolic compounds from P. oceanica inhibited microbial consumption of sucrose. Analyses of the rhizosphere community revealed that many microbes had the genes for degrading sucrose but these were only expressed by a few taxa that also expressed genes for degrading phenolics. Given that we observed high sucrose concentrations underneath three other species of marine plants, we predict that the presence of plant-produced phenolics under low oxygen conditions allows the accumulation of labile molecules across aquatic rhizospheres.

Cibarian

Formula: C12H18N2O12 (382.086)
Adducts: [M+H]+ (Ppm: 18.4)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

Lophirone D

Formula: C24H16O6 (400.0947)
Adducts: [M+H-H2O]+ (Ppm: 19.6)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

(+)-12a-Hydroxypachyrrhizone

Formula: C20H14O8 (382.0689)
Adducts: [M+H]+ (Ppm: 2.8)
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.

5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole

Formula: C18H20Cl2N2O3 (382.0851)
Adducts: [M+H]+ (Ppm: 9.3)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole

Formula: C18H20Cl2N2O3 (382.0851)
Adducts: [M+H]+ (Ppm: 11.7)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

Brinzolamide

Formula: C12H21N3O5S3 (383.0643)
Adducts: [M-H2O+NH4]+ (Ppm: 7.5)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB