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 15 Reference Ions Near m/z 392.9575
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000020226 Reliable 392.9582 392.9581 ~ 392.9583
MzDiff: 0.9 ppm
Heptafluorobutyric anhydride (BioDeep_00000179718)
Formula: C8F14O3 (409.9624)
9.54 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000015871 Unreliable 392.9581 392.958 ~ 392.9581
MzDiff: 0.5 ppm
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one (BioDeep_00002159271)
Formula: C17H10BrClO4 (391.9451)
3.16 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000025310 Unreliable 392.9577 392.9574 ~ 392.9579
MzDiff: 1.9 ppm
Heptafluorobutyric anhydride (BioDeep_00000179718)
Formula: C8F14O3 (409.9624)
5.14 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000007524 392.9581 392.9581 ~ 392.9582
MzDiff: 0.8 ppm
Heptafluorobutyric anhydride (BioDeep_00000179718)
Formula: C8F14O3 (409.9624)
1.81 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000040919 Unreliable 392.9582 392.9582 ~ 392.9583
MzDiff: 0.2 ppm
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one (BioDeep_00002159271)
Formula: C17H10BrClO4 (391.9451)
1.78 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000013405 Unreliable 392.958 392.958 ~ 392.958
MzDiff: none
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one (BioDeep_00002159271)
Formula: C17H10BrClO4 (391.9451)
1.25 (100%) Plant
[PO:0005417] phloem
MSI_000013446 Unreliable 392.9648 392.9648 ~ 392.9648
MzDiff: none
Not Annotated 1.13 (0%) Plant
[PO:0005417] phloem
MSI_000015134 Unavailable 392.958 392.958 ~ 392.958
MzDiff: none
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one (BioDeep_00002159271)
Formula: C17H10BrClO4 (391.9451)
-0.58 (100%) Plant
[PO:0006036] root epidermis
MSI_000016876 Unavailable 392.958 392.958 ~ 392.958
MzDiff: none
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one (BioDeep_00002159271)
Formula: C17H10BrClO4 (391.9451)
-0.15 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000018927 Unreliable 392.9648 392.9648 ~ 392.9648
MzDiff: none
Not Annotated 0.51 (0%) Plant
[PO:0020124] root stele
MSI_000018957 Unreliable 392.958 392.958 ~ 392.958
MzDiff: none
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one (BioDeep_00002159271)
Formula: C17H10BrClO4 (391.9451)
0.31 (100%) Plant
[PO:0020124] root stele
MSI_000019502 Unreliable 392.9648 392.9648 ~ 392.9648
MzDiff: none
Not Annotated 0.43 (0%) Plant
[PO:0025197] stele
MSI_000019517 Unreliable 392.958 392.958 ~ 392.958
MzDiff: none
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one (BioDeep_00002159271)
Formula: C17H10BrClO4 (391.9451)
0.39 (100%) Plant
[PO:0025197] stele
MSI_000032658 Unreliable 392.9575 392.9575 ~ 392.9575
MzDiff: none
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one (BioDeep_00002159271)
Formula: C17H10BrClO4 (391.9451)
0.64 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033743 Unreliable 392.9575 392.9575 ~ 392.9575
MzDiff: none
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one (BioDeep_00002159271)
Formula: C17H10BrClO4 (391.9451)
0.73 (100%) Posidonia oceanica
[PO:0005352] xylem

Found 18 Sample Hits
Metabolite Species Sample
(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one

Formula: C17H10BrClO4 (391.9451)
Adducts: [M+H]+ (Ppm: 14.3)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one

Formula: C17H10BrClO4 (391.9451)
Adducts: [M+H]+ (Ppm: 12.3)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

Heptafluorobutyric anhydride

Formula: C8F14O3 (409.9624)
Adducts: [M+H-H2O]+ (Ppm: 2.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one

Formula: C17H10BrClO4 (391.9451)
Adducts: [M+H]+ (Ppm: 14.3)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one

Formula: C17H10BrClO4 (391.9451)
Adducts: [M+H]+ (Ppm: 14.6)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Heptafluorobutyric anhydride

Formula: C8F14O3 (409.9624)
Adducts: [M+H-H2O]+ (Ppm: 2.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

Heptafluorobutyric anhydride

Formula: C8F14O3 (409.9624)
Adducts: [M+H-H2O]+ (Ppm: 2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

Heptafluorobutyric anhydride

Formula: C8F14O3 (409.9624)
Adducts: [M+H-H2O]+ (Ppm: 2.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

Heptafluorobutyric anhydride

Formula: C8F14O3 (409.9624)
Adducts: [M+H-H2O]+ (Ppm: 1.8)
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

Heptafluorobutyric anhydride

Formula: C8F14O3 (409.9624)
Adducts: [M+H-H2O]+ (Ppm: 4.3)
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.

Heptafluorobutyric anhydride

Formula: C8F14O3 (409.9624)
Adducts: [M+H-H2O]+ (Ppm: 4.1)
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.

Heptafluorobutyric anhydride

Formula: C8F14O3 (409.9624)
Adducts: [M+H-H2O]+ (Ppm: 3.1)
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.

Heptafluorobutyric anhydride

Formula: C8F14O3 (409.9624)
Adducts: [M+H-H2O]+ (Ppm: 0.3)
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%).

(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one

Formula: C17H10BrClO4 (391.9451)
Adducts: [M+H]+ (Ppm: 13.1)
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.

5-bromo-3-(3-bromo-4-chloro-4-methylcyclohexyl)-6,6-dimethyl-2-methylideneoxan-3-ol

Formula: C15H23Br2ClO2 (427.9753)
Adducts: [M+H-2H2O]+ (Ppm: 9.3)
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.

(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one

Formula: C17H10BrClO4 (391.9451)
Adducts: [M+H]+ (Ppm: 15.1)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

(5z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-chloro-4-(4-hydroxyphenyl)furan-2-one

Formula: C17H10BrClO4 (391.9451)
Adducts: [M+H]+ (Ppm: 14.8)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

1,2,3,7,8-Pentachlorodibenzo-P-dioxin

Formula: C12H3Cl5O2 (353.8576)
Adducts: [M+K]+ (Ppm: 12.5)
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.