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 14 Reference Ions Near m/z 405.0525
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000017620 Reliable 405.0582 405.0581 ~ 405.0582
MzDiff: 0.1 ppm
(-)-Amurensisin (BioDeep_00000602302)
Formula: C22H16O10 (440.0743)
1.88 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000053604 Reliable 405.0566 405.0563 ~ 405.0569
MzDiff: 2.3 ppm
(-)-Amurensisin (BioDeep_00000602302)
Formula: C22H16O10 (440.0743)
7.62 (56%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000010009 Unreliable 405.0583 405.0583 ~ 405.0583
MzDiff: 0.2 ppm
dCDP (BioDeep_00000002934)
Formula: C9H15N3O10P2 (387.0233)
1.12 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000026217 Unreliable 405.0568 405.0568 ~ 405.0569
MzDiff: 0.2 ppm
dCDP (BioDeep_00000002934)
Formula: C9H15N3O10P2 (387.0233)
1.81 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000011875 Unreliable 405.0583 405.0583 ~ 405.0583
MzDiff: 0.1 ppm
dCDP (BioDeep_00000002934)
Formula: C9H15N3O10P2 (387.0233)
0.15 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000017051 Unavailable 405.0582 405.0581 ~ 405.0582
MzDiff: 0.0 ppm
(-)-Amurensisin (BioDeep_00000602302)
Formula: C22H16O10 (440.0743)
-0.32 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000055043 Unreliable 405.0575 405.0575 ~ 405.0575
MzDiff: none
dCDP (BioDeep_00000002934)
Formula: C9H15N3O10P2 (387.0233)
1.56 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000012857 Unavailable 405.0562 405.0562 ~ 405.0562
MzDiff: none
dCDP (BioDeep_00000002934)
Formula: C9H15N3O10P2 (387.0233)
-0.5 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014072 Unavailable 405.0562 405.0562 ~ 405.0562
MzDiff: none
dCDP (BioDeep_00000002934)
Formula: C9H15N3O10P2 (387.0233)
-0.29 (100%) Plant
[PO:0005417] phloem
MSI_000014946 Unavailable 405.0562 405.0562 ~ 405.0562
MzDiff: none
dCDP (BioDeep_00000002934)
Formula: C9H15N3O10P2 (387.0233)
-0.5 (100%) Plant
[PO:0006036] root epidermis
MSI_000018358 Unreliable 405.0562 405.0562 ~ 405.0562
MzDiff: none
dCDP (BioDeep_00000002934)
Formula: C9H15N3O10P2 (387.0233)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000019946 Unavailable 405.0562 405.0562 ~ 405.0562
MzDiff: none
dCDP (BioDeep_00000002934)
Formula: C9H15N3O10P2 (387.0233)
-0.5 (100%) Plant
[PO:0025197] stele
MSI_000034010 Unreliable 405.0569 405.0569 ~ 405.0569
MzDiff: none
(2s,3r,4s,5s,6r)-2-[(5,7-dichloro-8-hydroxy-6-methylnaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (BioDeep_00002134995)
Formula: C17H18Cl2O7 (404.043)
0.08 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000037546 Unreliable 405.0576 405.0576 ~ 405.0576
MzDiff: none
(-)-Amurensisin (BioDeep_00000602302)
Formula: C22H16O10 (440.0743)
1.1 (100%) Posidonia oceanica
[UBERON:0000329] hair root

Found 14 Sample Hits
Metabolite Species Sample
dCDP

Formula: C9H15N3O10P2 (387.0233)
Adducts: [M+NH4]+ (Ppm: 2.2)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

1-O-Caffeoyl-(b-D-glucose 6-O-sulfate)

Formula: C15H18O12S (422.0519)
Adducts: [M+H-H2O]+ (Ppm: 11.8)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

dCDP

Formula: C9H15N3O10P2 (387.0233)
Adducts: [M+NH4]+ (Ppm: 0.5)
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

dCDP

Formula: C9H15N3O10P2 (387.0233)
Adducts: [M+NH4]+ (Ppm: 0.7)
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.

dCDP

Formula: C9H15N3O10P2 (387.0233)
Adducts: [M+NH4]+ (Ppm: 0.7)
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.

dCDP

Formula: C9H15N3O10P2 (387.0233)
Adducts: [M+NH4]+ (Ppm: 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.

dCDP

Formula: C9H15N3O10P2 (387.0233)
Adducts: [M+NH4]+ (Ppm: 1.5)
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%).

(3-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxysulfonic acid

Formula: C13H18O11S (382.057)
Adducts: [M+Na]+ (Ppm: 15.6)
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.

(-)-Amurensisin

Formula: C22H16O10 (440.0743)
Adducts: [M+H-2H2O]+ (Ppm: 10.1)
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.

(-)-Amurensisin

Formula: C22H16O10 (440.0743)
Adducts: [M+H-2H2O]+ (Ppm: 9.1)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

(-)-Amurensisin

Formula: C22H16O10 (440.0743)
Adducts: [M+H-2H2O]+ (Ppm: 10.3)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

1-O-Caffeoyl-(b-D-glucose 6-O-sulfate)

Formula: C15H18O12S (422.0519)
Adducts: [M+H-H2O]+ (Ppm: 8.4)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

dCDP

Formula: C9H15N3O10P2 (387.0233)
Adducts: [M+NH4]+ (Ppm: 1)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

1-O-Caffeoyl-(b-D-glucose 6-O-sulfate)

Formula: C15H18O12S (422.0519)
Adducts: [M+H-H2O]+ (Ppm: 8.4)
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