M/Z: 672.4237
Hit 6 annotations: PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))_[M-H2O+NH4]+
; methyl (4s,4as,11br)-9-[(4r,4ar,6ar,7s,11as,11br)-4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate_[M+NH4]+
; all-trans-Heptaprenyl diphosphate_[M+NH4]+
; PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))_[M+H-2H2O]+
; (2r)-2-hydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl hexadecanoate_[M+NH4]+
; l-685,458_[M-H2O+NH4]+
- 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 16 Reference Ions Near m/z 672.4237
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000046769 Reliable | 672.4211 | 672.4211 ~ 672.4211 MzDiff: none |
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187778) Formula: C35H61O10P (672.4002) |
3.47 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000007498 | 672.4209 | 672.4208 ~ 672.421 MzDiff: 0.6 ppm |
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187778) Formula: C35H61O10P (672.4002) |
1.88 (100%) | Rattus norvegicus [UBERON:0004359] corpus epididymis |
MSI_000025557 Unreliable | 672.4188 | 672.4187 ~ 672.4188 MzDiff: 0.1 ppm |
all-trans-Heptaprenyl diphosphate (BioDeep_00000005445) Formula: C35H60O7P2 (654.3814) |
2.76 (100%) | Mus musculus [UBERON:0000913] interstitial fluid |
MSI_000033138 Unreliable | 672.4208 | 672.4208 ~ 672.4208 MzDiff: 0.2 ppm |
(2r)-2-hydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl hexadecanoate (BioDeep_00002164973) Formula: C31H58O14 (654.3826) |
1.81 (100%) | Posidonia oceanica [PO:0005352] xylem |
MSI_000004272 Unreliable | 672.4205 | 672.4205 ~ 672.4205 MzDiff: none |
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187778) Formula: C35H61O10P (672.4002) |
0.82 (100%) | Homo sapiens [UBERON:0002107] liver |
MSI_000013248 Unavailable | 672.4213 | 672.4213 ~ 672.4213 MzDiff: none |
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187778) Formula: C35H61O10P (672.4002) |
-0.88 (100%) | Plant [PO:0005020] vascular bundle |
MSI_000013449 Unreliable | 672.4213 | 672.4213 ~ 672.4213 MzDiff: none |
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187778) Formula: C35H61O10P (672.4002) |
1.12 (100%) | Plant [PO:0005417] phloem |
MSI_000018863 Unreliable | 672.4213 | 672.4213 ~ 672.4213 MzDiff: none |
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187778) Formula: C35H61O10P (672.4002) |
1.05 (100%) | Plant [PO:0020124] root stele |
MSI_000020092 Unavailable | 672.4213 | 672.4213 ~ 672.4213 MzDiff: none |
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187778) Formula: C35H61O10P (672.4002) |
-0.53 (100%) | Plant [PO:0025197] stele |
MSI_000027966 Unreliable | 672.4157 | 672.4157 ~ 672.4157 MzDiff: none |
Not Annotated | 1.95 (0%) | Mus musculus [UBERON:0002048] lung |
MSI_000027981 Unreliable | 672.4237 | 672.4237 ~ 672.4237 MzDiff: none |
all-trans-Heptaprenyl diphosphate (BioDeep_00000005445) Formula: C35H60O7P2 (654.3814) |
1.93 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000032676 Unreliable | 672.4208 | 672.4208 ~ 672.4208 MzDiff: none |
(2r)-2-hydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl hexadecanoate (BioDeep_00002164973) Formula: C31H58O14 (654.3826) |
0.6 (100%) | Posidonia oceanica [PO:0005020] vascular bundle |
MSI_000037931 Unavailable | 672.4213 | 672.4213 ~ 672.4213 MzDiff: none |
methyl (4s,4as,11br)-9-[(4r,4ar,6ar,7s,11as,11br)-4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate (BioDeep_00002236917) Formula: C42H54O6 (654.392) |
-0.11 (100%) | Posidonia oceanica [UBERON:0000329] hair root |
MSI_000038277 Unreliable | 672.422 | 672.422 ~ 672.422 MzDiff: none |
methyl (4s,4as,11br)-9-[(4r,4ar,6ar,7s,11as,11br)-4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate (BioDeep_00002236917) Formula: C42H54O6 (654.392) |
1.5 (100%) | Posidonia oceanica [PO:0005020] vascular bundle |
MSI_000038377 Unreliable | 672.4217 | 672.4217 ~ 672.4217 MzDiff: none |
methyl (4s,4as,11br)-9-[(4r,4ar,6ar,7s,11as,11br)-4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate (BioDeep_00002236917) Formula: C42H54O6 (654.392) |
2.24 (100%) | Posidonia oceanica [PO:0005059] root endodermis |
MSI_000044829 Unavailable | 672.4211 | 672.4211 ~ 672.4211 MzDiff: none |
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187778) Formula: C35H61O10P (672.4002) |
-0.49 (100%) | Rattus norvegicus [UBERON:0002264] olfactory bulb |
Found 19 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) Formula: C35H61O10P (672.4002) Adducts: [M-H2O+NH4]+ (Ppm: 3.2) |
Plant (Root) |
MPIMM_035_QE_P_PO_6pmResolution: 30μm, 165x170
|
|
methyl (4s,4as,11br)-9-[(4r,4ar,6ar,7s,11as,11br)-4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate Formula: C42H54O6 (654.392) Adducts: [M+NH4]+ (Ppm: 6.5) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
all-trans-Heptaprenyl diphosphate Formula: C35H60O7P2 (654.3814) Adducts: [M+NH4]+ (Ppm: 12.1) |
Mus musculus (Lung) |
image1Resolution: 40μm, 187x165
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 |
|
all-trans-Heptaprenyl diphosphate Formula: C35H60O7P2 (654.3814) Adducts: [M+NH4]+ (Ppm: 11.7) |
Mus musculus (Lung) |
image3Resolution: 40μm, 146x190
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. |
|
PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Formula: C39H66NO8P (707.4526) Adducts: [M+H-2H2O]+ (Ppm: 19.7) |
Mus musculus (Lung) |
image4Resolution: 40μm, 162x156
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. |
|
all-trans-Heptaprenyl diphosphate Formula: C35H60O7P2 (654.3814) Adducts: [M+NH4]+ (Ppm: 5.3) |
Mus musculus (Lung) |
image5Resolution: 40μm, 163x183
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. |
|
all-trans-Heptaprenyl diphosphate Formula: C35H60O7P2 (654.3814) Adducts: [M+NH4]+ (Ppm: 12.6) |
Mus musculus (Lung) |
image2Resolution: 40μm, 550x256
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%). |
|
(2r)-2-hydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl hexadecanoate Formula: C31H58O14 (654.3826) Adducts: [M+NH4]+ (Ppm: 6.5) |
Posidonia oceanica (root) |
20190614_MS1_A19r-20Resolution: 17μm, 262x276
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. |
|
(2r)-2-hydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl hexadecanoate Formula: C31H58O14 (654.3826) Adducts: [M+NH4]+ (Ppm: 6.5) |
Posidonia oceanica (root) |
20190822_MS1_A19r-19Resolution: 17μm, 303x309
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. |
|
methyl (4s,4as,11br)-9-[(4r,4ar,6ar,7s,11as,11br)-4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate Formula: C42H54O6 (654.392) Adducts: [M+NH4]+ (Ppm: 5.7) |
Posidonia oceanica (root) |
20190613_MS1_A19r-18Resolution: 17μm, 246x264
|
|
methyl (4s,4as,11br)-9-[(4r,4ar,6ar,7s,11as,11br)-4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate Formula: C42H54O6 (654.392) Adducts: [M+NH4]+ (Ppm: 6.8) |
Posidonia oceanica (root) |
20190828_MS1_A19r-22Resolution: 17μm, 292x279
|
|
methyl (4s,4as,11br)-9-[(4r,4ar,6ar,7s,11as,11br)-4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate Formula: C42H54O6 (654.392) Adducts: [M+NH4]+ (Ppm: 6.2) |
Posidonia oceanica (root) |
MS1_20180404_PO_1200Resolution: 17μm, 193x208
|
|
all-trans-Heptaprenyl diphosphate Formula: C35H60O7P2 (654.3814) Adducts: [M+NH4]+ (Ppm: 16) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) Formula: C35H61O10P (672.4002) Adducts: [M-H2O+NH4]+ (Ppm: 3.5) |
Mus musculus (Liver) |
Salmonella_final_pos_recalResolution: 17μm, 691x430
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. |
|
l-685,458 Formula: C39H52N4O6 (672.3887) Adducts: [M-H2O+NH4]+ (Ppm: 14.4) |
Mytilus edulis (mantle) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210Resolution: 10μm, 270x210
|
|
all-trans-Heptaprenyl diphosphate Formula: C35H60O7P2 (654.3814) Adducts: [M+NH4]+ (Ppm: 8.7) |
Mytilus edulis (gill) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210Resolution: 11μm, 305x210
single cell layer |
|
l-685,458 Formula: C39H52N4O6 (672.3887) Adducts: [M-H2O+NH4]+ (Ppm: 13.9) |
Mytilus edulis (mantle) |
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210Resolution: 10μm, 275x210
|
|
all-trans-Heptaprenyl diphosphate Formula: C35H60O7P2 (654.3814) Adducts: [M+NH4]+ (Ppm: 15.9) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PA(12:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) Formula: C35H61O10P (672.4002) Adducts: [M-H2O+NH4]+ (Ppm: 3.2) |
Drosophila melanogaster (brain) |
Drosophila18Resolution: 5μm, 686x685
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 |
|