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 16 Reference Ions Near m/z 489.0101
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000015806 Reliable 489.0196 489.0195 ~ 489.0197
MzDiff: 0.7 ppm
(20e)-4,6,23-trichloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2(7),3,5,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol (BioDeep_00002140072)
Formula: C28H19Cl3O4 (524.0349)
3.35 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000054150 Reliable 489.0094 489.0091 ~ 489.0097
MzDiff: 2.3 ppm
Not Annotated 3.34 (0%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000010343 Unavailable 489.0021 489.002 ~ 489.0021
MzDiff: 0.4 ppm
(2s,3s,5s)-5-bromo-2-[(1s,2s,4r,5r)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002077145)
Formula: C17H27Br2ClO4 (487.9964)
-0.91 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000012109 Unavailable 489.0021 489.002 ~ 489.0021
MzDiff: 0.4 ppm
(2s,3s,5s)-5-bromo-2-[(1s,2s,4r,5r)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002077145)
Formula: C17H27Br2ClO4 (487.9964)
-0.92 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000025382 Unreliable 489.0023 489.0023 ~ 489.0023
MzDiff: 0.3 ppm
carlliiionaln (BioDeep_00000177046)
Formula: C12H14N6O10S2 (466.0213)
3.65 (50%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000032818 Unreliable 489.0022 489.002 ~ 489.0024
MzDiff: 1.5 ppm
(2s,3s,5s)-5-bromo-2-[(1s,2s,4r,5r)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002077145)
Formula: C17H27Br2ClO4 (487.9964)
1.31 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000013301 Unavailable 489.0027 489.0027 ~ 489.0027
MzDiff: none
(2s,3s,5s)-5-bromo-2-[(1s,2s,4r,5r)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002077145)
Formula: C17H27Br2ClO4 (487.9964)
-0.95 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013302 Unavailable 489.0103 489.0103 ~ 489.0103
MzDiff: none
Not Annotated -0.95 (0%) Plant
[PO:0005020] vascular bundle
MSI_000013465 Unreliable 489.0103 489.0103 ~ 489.0103
MzDiff: none
Not Annotated 1.08 (0%) Plant
[PO:0005417] phloem
MSI_000013492 Unreliable 489.0027 489.0027 ~ 489.0027
MzDiff: none
(2s,3s,5s)-5-bromo-2-[(1s,2s,4r,5r)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002077145)
Formula: C17H27Br2ClO4 (487.9964)
0.99 (100%) Plant
[PO:0005417] phloem
MSI_000018850 Unreliable 489.0027 489.0027 ~ 489.0027
MzDiff: none
(2s,3s,5s)-5-bromo-2-[(1s,2s,4r,5r)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002077145)
Formula: C17H27Br2ClO4 (487.9964)
1.14 (100%) Plant
[PO:0020124] root stele
MSI_000018862 Unreliable 489.0103 489.0103 ~ 489.0103
MzDiff: none
Not Annotated 1.05 (0%) Plant
[PO:0020124] root stele
MSI_000019757 Unavailable 489.0027 489.0027 ~ 489.0027
MzDiff: none
(2s,3s,5s)-5-bromo-2-[(1s,2s,4r,5r)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002077145)
Formula: C17H27Br2ClO4 (487.9964)
-0.35 (100%) Plant
[PO:0025197] stele
MSI_000019760 Unavailable 489.0103 489.0103 ~ 489.0103
MzDiff: none
Not Annotated -0.36 (0%) Plant
[PO:0025197] stele
MSI_000032932 Unreliable 489.0101 489.0101 ~ 489.0101
MzDiff: none
Not Annotated 1.5 (0%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000037713 Unreliable 489.0019 489.0019 ~ 489.0019
MzDiff: none
(2s,3s,5s)-5-bromo-2-[(1s,2s,4r,5r)-5-bromo-4-chloro-2-hydroxy-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate (BioDeep_00002077145)
Formula: C17H27Br2ClO4 (487.9964)
0.36 (100%) Posidonia oceanica
[UBERON:0000329] hair root

Found 10 Sample Hits
Metabolite Species Sample
m/z_489.0103

Formula: - (n/a)
Adducts: (Ppm: 0)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

carlliiionaln

Formula: C12H14N6O10S2 (466.0213)
Adducts: [M+Na]+ (Ppm: 16.8)
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

Phosphoaminophosphonic acid-adenylate ester

Formula: C10H17N6O12P3 (506.0117)
Adducts: [M+H-H2O]+ (Ppm: 12.6)
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.

m/z_489.0091

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

m/z_489.0101

Formula: - (n/a)
Adducts: (Ppm: 0)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

m/z_489.0097

Formula: - (n/a)
Adducts: (Ppm: 0)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

m/z_489.0012

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Liver)
Salmonella_final_pos_recal
Resolution: 17μm, 691x430

Description

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.

m/z_489.0098

Formula: - (n/a)
Adducts: (Ppm: 0)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

m/z_489.0094

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

m/z_489.0097

Formula: - (n/a)
Adducts: (Ppm: 0)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description