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 417.0583
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000017608 Reliable 417.0565 417.0564 ~ 417.0566
MzDiff: 0.8 ppm
Demethyltorosaflavone C (BioDeep_00000251655)
Formula: C21H14O8 (394.0689)
1.93 (67%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000054001 Unreliable 417.0576 417.0576 ~ 417.0578
MzDiff: 0.8 ppm
Demethyltorosaflavone C (BioDeep_00000251655)
Formula: C21H14O8 (394.0689)
3.39 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000002997 Unavailable 417.0533 417.0533 ~ 417.0533
MzDiff: none
2-Deoxy-5-hydroxymethylcytidine-5-diphosphate (BioDeep_00000008456)
Formula: C10H17N3O11P2 (417.0338)
-0.82 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003633 Unavailable 417.0533 417.0533 ~ 417.0533
MzDiff: none
2-Deoxy-5-hydroxymethylcytidine-5-diphosphate (BioDeep_00000008456)
Formula: C10H17N3O11P2 (417.0338)
-0.77 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004959 Unavailable 417.0533 417.0533 ~ 417.0533
MzDiff: none
2-Deoxy-5-hydroxymethylcytidine-5-diphosphate (BioDeep_00000008456)
Formula: C10H17N3O11P2 (417.0338)
-0.14 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005584 Unreliable 417.0533 417.0533 ~ 417.0533
MzDiff: none
2-Deoxy-5-hydroxymethylcytidine-5-diphosphate (BioDeep_00000008456)
Formula: C10H17N3O11P2 (417.0338)
0.36 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000012785 Unavailable 417.058 417.058 ~ 417.058
MzDiff: none
Flubenzimine (BioDeep_00000012575)
Formula: C17H10F6N4S (416.053)
-0.46 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014117 Unavailable 417.058 417.058 ~ 417.058
MzDiff: none
Flubenzimine (BioDeep_00000012575)
Formula: C17H10F6N4S (416.053)
-0.32 (100%) Plant
[PO:0005417] phloem
MSI_000014910 Unavailable 417.058 417.058 ~ 417.058
MzDiff: none
Flubenzimine (BioDeep_00000012575)
Formula: C17H10F6N4S (416.053)
-0.49 (100%) Plant
[PO:0006036] root epidermis
MSI_000018313 Unreliable 417.058 417.058 ~ 417.058
MzDiff: none
Flubenzimine (BioDeep_00000012575)
Formula: C17H10F6N4S (416.053)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000020018 Unavailable 417.058 417.058 ~ 417.058
MzDiff: none
Flubenzimine (BioDeep_00000012575)
Formula: C17H10F6N4S (416.053)
-0.51 (100%) Plant
[PO:0025197] stele
MSI_000059216 Unavailable 417.0484 417.0484 ~ 417.0484
MzDiff: none
3,4-Hexahydroxydiphenoylarabinose (BioDeep_00000022390)
Formula: C19H16O13 (452.0591)
-0.87 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059604 Unreliable 417.0484 417.0484 ~ 417.0484
MzDiff: none
3,4-Hexahydroxydiphenoylarabinose (BioDeep_00000022390)
Formula: C19H16O13 (452.0591)
1.09 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000061920 Unavailable 417.0488 417.0488 ~ 417.0488
MzDiff: none
3,4-Hexahydroxydiphenoylarabinose (BioDeep_00000022390)
Formula: C19H16O13 (452.0591)
-0.6 (100%) Mus musculus
[UBERON:0000956] cerebral cortex

Found 17 Sample Hits
Metabolite Species Sample
Flubenzimine

Formula: C17H10F6N4S (416.053)
Adducts: [M+H]+ (Ppm: 5.5)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

2-Deoxy-5-hydroxymethylcytidine-5-diphosphate

Formula: C10H17N3O11P2 (417.0338)
Adducts: [M-H2O+NH4]+ (Ppm: 12)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

Glycosmisic acid sulfate

Formula: C20H20O10S (452.0777)
Adducts: [M+H-2H2O]+ (Ppm: 17.9)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

Demethyltorosaflavone C

Formula: C21H14O8 (394.0689)
Adducts: [M+Na]+ (Ppm: 3.6)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

Demethyltorosaflavone C

Formula: C21H14O8 (394.0689)
Adducts: [M+Na]+ (Ppm: 4)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Furaptra

Formula: C18H14N2O11 (434.0598)
Adducts: [M+H-H2O]+ (Ppm: 1.3)
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_417.0539

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.

Torvanol A

Formula: C20H20O10S (452.0777)
Adducts: [M+H-2H2O]+ (Ppm: 14.5)
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.

Glucoberteroin

Formula: C13H24NO9S3 (434.0613)
Adducts: [M+H-H2O]+ (Ppm: 1.3)
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.

Demethyltorosaflavone C

Formula: C21H14O8 (394.0689)
Adducts: [M+Na]+ (Ppm: 1.2)
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.

Demethyltorosaflavone C

Formula: C21H14O8 (394.0689)
Adducts: [M+Na]+ (Ppm: 0.7)
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.

Demethyltorosaflavone C

Formula: C21H14O8 (394.0689)
Adducts: [M+Na]+ (Ppm: 1.2)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

Glycosmisic acid sulfate

Formula: C20H20O10S (452.0777)
Adducts: [M+H-2H2O]+ (Ppm: 13.3)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Flubenzimine

Formula: C17H10F6N4S (416.053)
Adducts: [M+H]+ (Ppm: 4.1)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

Flubenzimine

Formula: C17H10F6N4S (416.053)
Adducts: [M+H]+ (Ppm: 5.1)
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

Flubenzimine

Formula: C17H10F6N4S (416.053)
Adducts: [M+H]+ (Ppm: 5.1)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

3,4-Hexahydroxydiphenoylarabinose

Formula: C19H16O13 (452.0591)
Adducts: [M+H-2H2O]+ (Ppm: 7.6)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description