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 5 Reference Ions Near m/z 505.0036
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055396 Unreliable 505.0055 505.0055 ~ 505.0055
MzDiff: none
2',3'-Dialdehyde ATP (BioDeep_00000181976)
Formula: C10H14N5O13P3 (504.9801)
1.46 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000040887 Unreliable 505.0022 505.0021 ~ 505.0024
MzDiff: 1.3 ppm
(2s,3r,5r)-5-bromo-2-[(1s,2s,4s,5s)-5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002209900)
Formula: C17H27Br2ClO5 (503.9914)
1.83 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000032125 Unreliable 505.0014 505.0014 ~ 505.0014
MzDiff: none
(2s,3r,5r)-5-bromo-2-[(1s,2s,4s,5s)-5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002209900)
Formula: C17H27Br2ClO5 (503.9914)
2.38 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033938 Unreliable 505.0014 505.0014 ~ 505.0014
MzDiff: none
(2s,3r,5r)-5-bromo-2-[(1s,2s,4s,5s)-5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002209900)
Formula: C17H27Br2ClO5 (503.9914)
0.21 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000036018 Unavailable 505.0014 505.0014 ~ 505.0014
MzDiff: none
(2s,3r,5r)-5-bromo-2-[(1s,2s,4s,5s)-5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002209900)
Formula: C17H27Br2ClO5 (503.9914)
-0.4 (100%) Posidonia oceanica
[PO:0006203] pericycle

Found 10 Sample Hits
Metabolite Species Sample
Phosphoaminophosphonic acid-guanylate ester

Formula: C10H17N6O13P3 (522.0066)
Adducts: [M+H-H2O]+ (Ppm: 3.1)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

m/z_505.0007

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

2',3'-Dialdehyde ATP

Formula: C10H14N5O13P3 (504.9801)
Adducts: [M-H2O+NH4]+ (Ppm: 7.6)
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.

m/z_504.9998

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

2',3'-Dialdehyde ATP

Formula: C10H14N5O13P3 (504.9801)
Adducts: [M-H2O+NH4]+ (Ppm: 4.2)
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.

(2s,3r,5r)-5-bromo-2-[(1s,2s,4s,5s)-5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate

Formula: C17H27Br2ClO5 (503.9914)
Adducts: [M+H]+ (Ppm: 5.5)
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.

(2s,3r,5r)-5-bromo-2-[(1s,2s,4s,5s)-5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate

Formula: C17H27Br2ClO5 (503.9914)
Adducts: [M+H]+ (Ppm: 7.4)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

(2s,3r,5r)-5-bromo-2-[(1s,2s,4s,5s)-5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate

Formula: C17H27Br2ClO5 (503.9914)
Adducts: [M+H]+ (Ppm: 6.9)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Phosphoaminophosphonic acid-guanylate ester

Formula: C10H17N6O13P3 (522.0066)
Adducts: [M+H-H2O]+ (Ppm: 0.5)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

Phosphoaminophosphonic acid-guanylate ester

Formula: C10H17N6O13P3 (522.0066)
Adducts: [M+H-H2O]+ (Ppm: 3.8)
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