M/Z: 451.0504
Hit 6 annotations: (+/-)-Ibipinabant_[M+H-2H2O]+
; 4-Methylsulfonyl-3-butenyl glucosinolate_[M-H2O+NH4]+
; 16-chloro-4,10-dihydroxy-6,15-dimethoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione_[M+H-H2O]+
; Glucoalyssin_[M+H]+
; 1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid_[M-H2O+NH4]+
; C.I. Food Red 6_[M+H]+
- 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 20 Reference Ions Near m/z 451.0504
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000054424 Reliable | 451.0424 | 451.0421 ~ 451.0429 MzDiff: 3.2 ppm |
1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid (BioDeep_00002070058) Formula: C18H13NO13 (451.0387) |
2.48 (100%) | MALDI - CHCA [NOVOCELL:BACKGROUND] blank |
MSI_000053673 Reliable | 451.0536 | 451.0534 ~ 451.0538 MzDiff: 1.7 ppm |
16-chloro-4,10-dihydroxy-6,15-dimethoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione (BioDeep_00002215399) Formula: C24H17ClO8 (468.0612) |
5.85 (50%) | MALDI - CHCA [NOVOCELL:BACKGROUND] blank |
MSI_000015684 Unreliable | 451.0428 | 451.0428 ~ 451.0428 MzDiff: 0.2 ppm |
1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid (BioDeep_00002070058) Formula: C18H13NO13 (451.0387) |
3.67 (100%) | Vitis vinifera [PO:0009085] exocarp |
MSI_000025464 Unreliable | 451.0503 | 451.0501 ~ 451.0504 MzDiff: 1.6 ppm |
4-Methylsulfonyl-3-butenyl glucosinolate (BioDeep_00000226854) Formula: C12H21NO11S3 (451.0277) |
3.36 (50%) | Mus musculus [UBERON:0000913] interstitial fluid |
MSI_000010214 Unavailable | 451.0538 | 451.0538 ~ 451.0538 MzDiff: none |
(+/-)-Ibipinabant (BioDeep_00000171523) Formula: C23H20Cl2N4O2S (486.0684) |
-0.52 (100%) | Bathymodiolus [UBERON:0009120] gill filament |
MSI_000012806 Unavailable | 451.0537 | 451.0537 ~ 451.0537 MzDiff: none |
(+/-)-Ibipinabant (BioDeep_00000171523) Formula: C23H20Cl2N4O2S (486.0684) |
-0.47 (100%) | Plant [PO:0005020] vascular bundle |
MSI_000012996 Unavailable | 451.0425 | 451.0425 ~ 451.0425 MzDiff: none |
4-(3-bromo-2,4-dihydroxy-6-methylbenzoyloxy)-6-(but-2-en-2-yl)-2-hydroxy-3-methylbenzoic acid (BioDeep_00002235510) Formula: C20H19BrO7 (450.0314) |
-0.6 (100%) | Plant [PO:0005020] vascular bundle |
MSI_000013861 Unreliable | 451.0425 | 451.0425 ~ 451.0425 MzDiff: none |
4-(3-bromo-2,4-dihydroxy-6-methylbenzoyloxy)-6-(but-2-en-2-yl)-2-hydroxy-3-methylbenzoic acid (BioDeep_00002235510) Formula: C20H19BrO7 (450.0314) |
0.01 (100%) | Plant [PO:0005417] phloem |
MSI_000014161 Unavailable | 451.0537 | 451.0537 ~ 451.0537 MzDiff: none |
(+/-)-Ibipinabant (BioDeep_00000171523) Formula: C23H20Cl2N4O2S (486.0684) |
-0.36 (100%) | Plant [PO:0005417] phloem |
MSI_000014874 Unavailable | 451.0537 | 451.0537 ~ 451.0537 MzDiff: none |
(+/-)-Ibipinabant (BioDeep_00000171523) Formula: C23H20Cl2N4O2S (486.0684) |
-0.48 (100%) | Plant [PO:0006036] root epidermis |
MSI_000015184 Unavailable | 451.0425 | 451.0425 ~ 451.0425 MzDiff: none |
4-(3-bromo-2,4-dihydroxy-6-methylbenzoyloxy)-6-(but-2-en-2-yl)-2-hydroxy-3-methylbenzoic acid (BioDeep_00002235510) Formula: C20H19BrO7 (450.0314) |
-0.61 (100%) | Plant [PO:0006036] root epidermis |
MSI_000018259 Unreliable | 451.0537 | 451.0537 ~ 451.0537 MzDiff: none |
(+/-)-Ibipinabant (BioDeep_00000171523) Formula: C23H20Cl2N4O2S (486.0684) |
1.79 (100%) | Plant [PO:0020124] root stele |
MSI_000018551 Unreliable | 451.0425 | 451.0425 ~ 451.0425 MzDiff: none |
4-(3-bromo-2,4-dihydroxy-6-methylbenzoyloxy)-6-(but-2-en-2-yl)-2-hydroxy-3-methylbenzoic acid (BioDeep_00002235510) Formula: C20H19BrO7 (450.0314) |
1.73 (100%) | Plant [PO:0020124] root stele |
MSI_000019850 Unavailable | 451.0537 | 451.0537 ~ 451.0537 MzDiff: none |
(+/-)-Ibipinabant (BioDeep_00000171523) Formula: C23H20Cl2N4O2S (486.0684) |
-0.48 (100%) | Plant [PO:0025197] stele |
MSI_000020150 Unavailable | 451.0425 | 451.0425 ~ 451.0425 MzDiff: none |
4-(3-bromo-2,4-dihydroxy-6-methylbenzoyloxy)-6-(but-2-en-2-yl)-2-hydroxy-3-methylbenzoic acid (BioDeep_00002235510) Formula: C20H19BrO7 (450.0314) |
-0.54 (100%) | Plant [PO:0025197] stele |
MSI_000025752 Unreliable | 451.057 | 451.057 ~ 451.057 MzDiff: none |
Glucoalyssin (BioDeep_00000226850) Formula: C13H24NO10S3 (450.0562) |
2.12 (100%) | Mus musculus [UBERON:0000913] interstitial fluid |
MSI_000032792 Unreliable | 451.0421 | 451.0421 ~ 451.0421 MzDiff: none |
1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid (BioDeep_00002070058) Formula: C18H13NO13 (451.0387) |
0.26 (100%) | Posidonia oceanica [PO:0005020] vascular bundle |
MSI_000033962 Unreliable | 451.0421 | 451.0421 ~ 451.0421 MzDiff: none |
1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid (BioDeep_00002070058) Formula: C18H13NO13 (451.0387) |
0.16 (100%) | Posidonia oceanica [PO:0005352] xylem |
MSI_000035565 Unavailable | 451.0421 | 451.0421 ~ 451.0421 MzDiff: none |
1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid (BioDeep_00002070058) Formula: C18H13NO13 (451.0387) |
-0.12 (100%) | Posidonia oceanica [PO:0006203] pericycle |
MSI_000040120 Unreliable | 451.0426 | 451.0426 ~ 451.0426 MzDiff: none |
1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid (BioDeep_00002070058) Formula: C18H13NO13 (451.0387) |
0.03 (100%) | Posidonia oceanica [PO:0005417] phloem |
Found 16 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
(+/-)-Ibipinabant Formula: C23H20Cl2N4O2S (486.0684) Adducts: [M+H-2H2O]+ (Ppm: 2.8) |
Marker Pen (NA) |
3ul_0.8Mpa_RAW_20241016-PAPER PNMKResolution: 30μm, 315x42
By writing the four English letters “PNMK” on white paper with a marker pen, and then scanning with a DESI ion source to obtain the scanning result. The signal of the chemical substances on the marker pen used appears on the channel with an m/z value of |
|
(+/-)-Ibipinabant Formula: C23H20Cl2N4O2S (486.0684) Adducts: [M+H-2H2O]+ (Ppm: 1.6) |
Bathymodiolus (epithelial host cells) |
MPIMM_039_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl14_s1_DHB_233x233_3umResolution: 3μm, 233x234
|
|
(+/-)-Ibipinabant Formula: C23H20Cl2N4O2S (486.0684) Adducts: [M+H-2H2O]+ (Ppm: 1.9) |
Plant (Root) |
MPIMM_035_QE_P_PO_6pmResolution: 30μm, 165x170
|
|
4-Methylsulfonyl-3-butenyl glucosinolate Formula: C12H21NO11S3 (451.0277) Adducts: [M-H2O+NH4]+ (Ppm: 1.2) |
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 |
|
(+/-)-Ibipinabant Formula: C23H20Cl2N4O2S (486.0684) Adducts: [M+H-2H2O]+ (Ppm: 3.6) |
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. |
|
4-Methylsulfonyl-3-butenyl glucosinolate Formula: C12H21NO11S3 (451.0277) Adducts: [M-H2O+NH4]+ (Ppm: 1.8) |
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. |
|
(+/-)-Ibipinabant Formula: C23H20Cl2N4O2S (486.0684) Adducts: [M+H-2H2O]+ (Ppm: 2.8) |
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. |
|
4-Methylsulfonyl-3-butenyl glucosinolate Formula: C12H21NO11S3 (451.0277) Adducts: [M-H2O+NH4]+ (Ppm: 2.6) |
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%). |
|
16-chloro-4,10-dihydroxy-6,15-dimethoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione Formula: C24H17ClO8 (468.0612) Adducts: [M+H-H2O]+ (Ppm: 10) |
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. |
|
m/z_451.0534 Formula: - (n/a) Adducts: (Ppm: 0) |
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. |
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Glucoalyssin Formula: C13H24NO10S3 (450.0562) Adducts: [M+H]+ (Ppm: 19.3) |
Posidonia oceanica (root) |
20190613_MS1_A19r-18Resolution: 17μm, 246x264
|
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1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid Formula: C18H13NO13 (451.0387) Adducts: [M-H2O+NH4]+ (Ppm: 18.1) |
Posidonia oceanica (root) |
MS1_20180404_PO_1200Resolution: 17μm, 193x208
|
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C.I. Food Red 6 Formula: C19H18N2O7S2 (450.0555) Adducts: [M+H]+ (Ppm: 19.5) |
Mytilus edulis (mantle) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210Resolution: 10μm, 270x210
|
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(+/-)-Ibipinabant Formula: C23H20Cl2N4O2S (486.0684) Adducts: [M+H-2H2O]+ (Ppm: 2.3) |
Mytilus edulis (gill) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210Resolution: 11μm, 305x210
single cell layer |
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C.I. Food Red 6 Formula: C19H18N2O7S2 (450.0555) Adducts: [M+H]+ (Ppm: 19.8) |
Mytilus edulis (mantle) |
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210Resolution: 10μm, 275x210
|
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(+/-)-Ibipinabant Formula: C23H20Cl2N4O2S (486.0684) Adducts: [M+H-2H2O]+ (Ppm: 3) |
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 |
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