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 10 Reference Ions Near m/z 626.0645
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000018014 Reliable 626.0597 626.0597 ~ 626.0598
MzDiff: 0.5 ppm
Adenosine tetraphosphate (BioDeep_00000005221)
Formula: C10H17N5O16P4 (586.9621)
0.69 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000053811 Unreliable 626.0595 626.0595 ~ 626.0596
MzDiff: 0.4 ppm
Adenosine tetraphosphate (BioDeep_00000005221)
Formula: C10H17N5O16P4 (586.9621)
3.78 (20%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000025432 Unreliable 626.0556 626.0555 ~ 626.0556
MzDiff: 0.4 ppm
GDP-alpha-D-glucose (BioDeep_00000229054)
Formula: C16H23N5O16P2 (603.0615)
2.71 (67%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000026237 Unreliable 626.0625 626.0624 ~ 626.0626
MzDiff: 0.6 ppm
Adenosine tetraphosphate (BioDeep_00000005221)
Formula: C10H17N5O16P4 (586.9621)
2.88 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000025950 Unreliable 626.0645 626.0643 ~ 626.0646
MzDiff: 1.3 ppm
Not Annotated 1.99 (0%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000012789 Unavailable 626.0599 626.0599 ~ 626.0599
MzDiff: none
Adenosine tetraphosphate (BioDeep_00000005221)
Formula: C10H17N5O16P4 (586.9621)
-0.46 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014089 Unavailable 626.0599 626.0599 ~ 626.0599
MzDiff: none
Adenosine tetraphosphate (BioDeep_00000005221)
Formula: C10H17N5O16P4 (586.9621)
-0.3 (100%) Plant
[PO:0005417] phloem
MSI_000014907 Unavailable 626.0599 626.0599 ~ 626.0599
MzDiff: none
Adenosine tetraphosphate (BioDeep_00000005221)
Formula: C10H17N5O16P4 (586.9621)
-0.49 (100%) Plant
[PO:0006036] root epidermis
MSI_000018345 Unreliable 626.0599 626.0599 ~ 626.0599
MzDiff: none
Adenosine tetraphosphate (BioDeep_00000005221)
Formula: C10H17N5O16P4 (586.9621)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000020081 Unavailable 626.0599 626.0599 ~ 626.0599
MzDiff: none
Adenosine tetraphosphate (BioDeep_00000005221)
Formula: C10H17N5O16P4 (586.9621)
-0.53 (100%) Plant
[PO:0025197] stele

Found 12 Sample Hits
Metabolite Species Sample
Adenosine tetraphosphate

Formula: C10H17N5O16P4 (586.9621)
Adducts: [M+K]+ (Ppm: 0.2)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

Adenosine tetraphosphate

Formula: C10H17N5O16P4 (586.9621)
Adducts: [M+K]+ (Ppm: 0.1)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Adenosine tetraphosphate

Formula: C10H17N5O16P4 (586.9621)
Adducts: [M+K]+ (Ppm: 4.7)
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

m/z_626.0643

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

Adenosine tetraphosphate

Formula: C10H17N5O16P4 (586.9621)
Adducts: [M+K]+ (Ppm: 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_626.0633

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.

m/z_626.0646

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.

Adenosine tetraphosphate

Formula: C10H17N5O16P4 (586.9621)
Adducts: [M+K]+ (Ppm: 4.4)
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.

Adenosine tetraphosphate

Formula: C10H17N5O16P4 (586.9621)
Adducts: [M+K]+ (Ppm: 4.1)
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%).

Adenosine tetraphosphate

Formula: C10H17N5O16P4 (586.9621)
Adducts: [M+K]+ (Ppm: 0.5)
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.

3,4,5-tris(3,4,5-trihydroxybenzoyloxy)benzoic acid

Formula: C28H18O17 (626.0544)
Adducts: [M]+ (Ppm: 10.5)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Adenosine tetraphosphate

Formula: C10H17N5O16P4 (586.9621)
Adducts: [M+K]+ (Ppm: 0.4)
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