M/Z: 511.0195
Hit 5 annotations: 3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid_[M+H-H2O]+
; rostratin D_[M+Na]+
; Flufenoxuron_[M+Na]+
; Bis(sulfosuccinimidyl)suberate_[M+H-H2O]+
; 7,9-dibromo-n-(4-carbamimidamidobutyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide_[M+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 19 Reference Ions Near m/z 511.0195
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000053582 Reliable | 511.0223 | 511.0221 ~ 511.0225 MzDiff: 1.5 ppm |
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178) |
8.5 (36%) | MALDI - CHCA [NOVOCELL:BACKGROUND] blank |
MSI_000017313 Reliable | 511.0221 | 511.0221 ~ 511.0221 MzDiff: 0.2 ppm |
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178) |
2.94 (100%) | Vitis vinifera [PO:0009087] mesocarp |
MSI_000018046 Reliable | 511.0156 | 511.0156 ~ 511.0156 MzDiff: 0.1 ppm |
rostratin D (BioDeep_00000328294) Formula: C18H20N2O6S4 (488.0204) |
0.62 (100%) | Vitis vinifera [PO:0009087] mesocarp |
MSI_000054497 Reliable | 511.0224 | 511.0222 ~ 511.0229 MzDiff: 2.9 ppm |
Bis(sulfosuccinimidyl)suberate (BioDeep_00000175298) Formula: C16H20N2O14S2 (528.0356) |
2.68 (100%) | MALDI - DHB [NOVOCELL:BACKGROUND] blank |
MSI_000025418 Unreliable | 511.0197 | 511.0195 ~ 511.0199 MzDiff: 1.8 ppm |
Flufenoxuron (BioDeep_00000001789) Formula: C21H11ClF6N2O3 (488.0362) |
3.53 (100%) | Mus musculus [UBERON:0000913] interstitial fluid |
MSI_000055382 Unreliable | 511.0154 | 511.0154 ~ 511.0154 MzDiff: none |
Not Annotated | 1.46 (0%) | MALDI - DHB [NOVOCELL:BACKGROUND] blank |
MSI_000016869 Unavailable | 511.0221 | 511.0221 ~ 511.0221 MzDiff: 0.2 ppm |
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178) |
-0.14 (100%) | Vitis vinifera [PO:0009086] endocarp |
MSI_000055224 Unreliable | 511.0104 | 511.0104 ~ 511.0104 MzDiff: none |
rostratin D (BioDeep_00000328294) Formula: C18H20N2O6S4 (488.0204) |
1.49 (100%) | MALDI - DHB [NOVOCELL:BACKGROUND] blank |
MSI_000012920 Unavailable | 511.024 | 511.024 ~ 511.024 MzDiff: none |
Pyriprole (BioDeep_00000012326) Formula: C18H10Cl2F5N5S (492.9954) |
-0.53 (100%) | Plant [PO:0005020] vascular bundle |
MSI_000013925 Unavailable | 511.024 | 511.024 ~ 511.024 MzDiff: none |
Pyriprole (BioDeep_00000012326) Formula: C18H10Cl2F5N5S (492.9954) |
-0.09 (100%) | Plant [PO:0005417] phloem |
MSI_000015101 Unavailable | 511.024 | 511.024 ~ 511.024 MzDiff: none |
Pyriprole (BioDeep_00000012326) Formula: C18H10Cl2F5N5S (492.9954) |
-0.56 (100%) | Plant [PO:0006036] root epidermis |
MSI_000018496 Unreliable | 511.024 | 511.024 ~ 511.024 MzDiff: none |
Pyriprole (BioDeep_00000012326) Formula: C18H10Cl2F5N5S (492.9954) |
1.75 (100%) | Plant [PO:0020124] root stele |
MSI_000025065 Unreliable | 511.0229 | 511.0229 ~ 511.0229 MzDiff: none |
Bis(sulfosuccinimidyl)suberate (BioDeep_00000175298) Formula: C16H20N2O14S2 (528.0356) |
1.73 (100%) | Mus musculus [UBERON:0004269] upper arm connective tissue |
MSI_000025955 Unreliable | 511.0249 | 511.0249 ~ 511.0249 MzDiff: none |
Bis(sulfosuccinimidyl)suberate (BioDeep_00000175298) Formula: C16H20N2O14S2 (528.0356) |
1.98 (100%) | Mus musculus [UBERON:0000913] interstitial fluid |
MSI_000037988 Unavailable | 511.0225 | 511.0225 ~ 511.0225 MzDiff: none |
Flufenoxuron (BioDeep_00000001789) Formula: C21H11ClF6N2O3 (488.0362) |
-0.18 (100%) | Posidonia oceanica [UBERON:0000329] hair root |
MSI_000050459 Unreliable | 511.01 | 511.01 ~ 511.01 MzDiff: none |
rostratin D (BioDeep_00000328294) Formula: C18H20N2O6S4 (488.0204) |
0 (100%) | Mytilus edulis [UBERON:0009120] gill filament |
MSI_000050460 Unreliable | 511.0223 | 511.0223 ~ 511.0223 MzDiff: none |
Bis(sulfosuccinimidyl)suberate (BioDeep_00000175298) Formula: C16H20N2O14S2 (528.0356) |
0 (100%) | Mytilus edulis [UBERON:0009120] gill filament |
MSI_000051455 Unreliable | 511.01 | 511.01 ~ 511.01 MzDiff: none |
rostratin D (BioDeep_00000328294) Formula: C18H20N2O6S4 (488.0204) |
0 (100%) | Mytilus edulis [UBERON:2001856] gill ray |
MSI_000051456 Unreliable | 511.0223 | 511.0223 ~ 511.0223 MzDiff: none |
Bis(sulfosuccinimidyl)suberate (BioDeep_00000175298) Formula: C16H20N2O14S2 (528.0356) |
0 (100%) | Mytilus edulis [UBERON:2001856] gill ray |
Found 21 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid Formula: C16H20N2O12S3 (528.0178) Adducts: [M+H-H2O]+ (Ppm: 14.8) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
rostratin D Formula: C18H20N2O6S4 (488.0204) Adducts: [M+Na]+ (Ppm: 11.7) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid Formula: C16H20N2O12S3 (528.0178) Adducts: [M+H-H2O]+ (Ppm: 14.8) |
Vitis vinifera (Fruit) |
grape_dhb_163_1Resolution: 17μm, 132x115
Grape berries fruit, condition: Late |
|
Flufenoxuron Formula: C21H11ClF6N2O3 (488.0362) Adducts: [M+Na]+ (Ppm: 11.7) |
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 |
|
Bis(sulfosuccinimidyl)suberate Formula: C16H20N2O14S2 (528.0356) Adducts: [M+H-H2O]+ (Ppm: 18.4) |
Mus musculus (Left upper arm) |
357_l_total ion countResolution: 50μm, 97x131
Diseased |
|
m/z_511.0132 Formula: - (n/a) Adducts: (Ppm: 0) |
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. |
|
Flufenoxuron Formula: C21H11ClF6N2O3 (488.0362) Adducts: [M+Na]+ (Ppm: 7.4) |
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. |
|
m/z_511.0154 Formula: - (n/a) Adducts: (Ppm: 0) |
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. |
|
Bis(sulfosuccinimidyl)suberate Formula: C16H20N2O14S2 (528.0356) Adducts: [M+H-H2O]+ (Ppm: 19.8) |
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. |
|
Flufenoxuron Formula: C21H11ClF6N2O3 (488.0362) Adducts: [M+Na]+ (Ppm: 10.9) |
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. |
|
m/z_511.0173 Formula: - (n/a) Adducts: (Ppm: 0) |
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%). |
|
Bis(sulfosuccinimidyl)suberate Formula: C16H20N2O14S2 (528.0356) Adducts: [M+H-H2O]+ (Ppm: 19.2) |
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%). |
|
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid Formula: C16H20N2O12S3 (528.0178) Adducts: [M+H-H2O]+ (Ppm: 14.8) |
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. |
|
7,9-dibromo-n-(4-carbamimidamidobutyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide Formula: C15H21Br2N5O4 (492.996) Adducts: [M+NH4]+ (Ppm: 15) |
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. |
|
7,9-dibromo-n-(4-carbamimidamidobutyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide Formula: C15H21Br2N5O4 (492.996) Adducts: [M+NH4]+ (Ppm: 13.4) |
Posidonia oceanica (root) |
20190613_MS1_A19r-18Resolution: 17μm, 246x264
|
|
Flufenoxuron Formula: C21H11ClF6N2O3 (488.0362) Adducts: [M+Na]+ (Ppm: 5.8) |
Posidonia oceanica (root) |
20190828_MS1_A19r-22Resolution: 17μm, 292x279
|
|
7,9-dibromo-n-(4-carbamimidamidobutyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide Formula: C15H21Br2N5O4 (492.996) Adducts: [M+NH4]+ (Ppm: 14.6) |
Posidonia oceanica (root) |
MS1_20180404_PO_1200Resolution: 17μm, 193x208
|
|
Bis(sulfosuccinimidyl)suberate Formula: C16H20N2O14S2 (528.0356) Adducts: [M+H-H2O]+ (Ppm: 18.4) |
Mytilus edulis (mantle) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210Resolution: 10μm, 270x210
|
|
Bis(sulfosuccinimidyl)suberate Formula: C16H20N2O14S2 (528.0356) Adducts: [M+H-H2O]+ (Ppm: 19.6) |
Mytilus edulis (gill) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210Resolution: 11μm, 305x210
single cell layer |
|
Bis(sulfosuccinimidyl)suberate Formula: C16H20N2O14S2 (528.0356) Adducts: [M+H-H2O]+ (Ppm: 19.2) |
Mytilus edulis (mantle) |
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210Resolution: 10μm, 275x210
|
|
Flufenoxuron Formula: C21H11ClF6N2O3 (488.0362) Adducts: [M+Na]+ (Ppm: 4.8) |
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 |
|