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 541.9708
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000040842 Reliable 541.9624 541.9621 ~ 541.9626
MzDiff: 2.3 ppm
2-[(4-{3-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]propyl}-5-hydroxy-2-imino-3h-imidazol-4-yl)amino]ethanesulfonic acid (BioDeep_00002177353)
Formula: C14H20Br2N6O5S (541.9583)
1.89 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000015767 Unreliable 541.9625 541.9625 ~ 541.9625
MzDiff: 0.1 ppm
2-[(4-{3-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]propyl}-5-hydroxy-2-imino-3h-imidazol-4-yl)amino]ethanesulfonic acid (BioDeep_00002177353)
Formula: C14H20Br2N6O5S (541.9583)
3.46 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000011031 Unreliable 541.9673 541.9673 ~ 541.9673
MzDiff: none
Not Annotated 2.56 (%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011262 Unreliable 541.9753 541.9753 ~ 541.9753
MzDiff: none
2-[(4-{3-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]propyl}-5-hydroxy-2-imino-3h-imidazol-4-yl)amino]ethanesulfonic acid (BioDeep_00002177353)
Formula: C14H20Br2N6O5S (541.9583)
1.6 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000032833 Unreliable 541.9621 541.9621 ~ 541.9621
MzDiff: none
2-[(4-{3-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]propyl}-5-hydroxy-2-imino-3h-imidazol-4-yl)amino]ethanesulfonic acid (BioDeep_00002177353)
Formula: C14H20Br2N6O5S (541.9583)
0.15 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000035978 Unavailable 541.9621 541.9621 ~ 541.9621
MzDiff: none
2-[(4-{3-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]propyl}-5-hydroxy-2-imino-3h-imidazol-4-yl)amino]ethanesulfonic acid (BioDeep_00002177353)
Formula: C14H20Br2N6O5S (541.9583)
-0.4 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000027306 Unreliable 541.9623 541.9623 ~ 541.9623
MzDiff: none
Not Annotated 2.03 (%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000038048 Unavailable 541.9626 541.9626 ~ 541.9626
MzDiff: none
2-[(4-{3-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]propyl}-5-hydroxy-2-imino-3h-imidazol-4-yl)amino]ethanesulfonic acid (BioDeep_00002177353)
Formula: C14H20Br2N6O5S (541.9583)
-0.25 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000038295 Unreliable 541.9631 541.9631 ~ 541.9631
MzDiff: none
Not Annotated 1.48 (%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000025945 Unreliable 541.9638 541.9638 ~ 541.9638
MzDiff: none
Not Annotated 1.99 (%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000013376 Unreliable 541.964 541.964 ~ 541.964
MzDiff: none
Not Annotated 1.33 (%) Plant
[PO:0005417] phloem
MSI_000014799 Unavailable 541.964 541.964 ~ 541.964
MzDiff: none
Not Annotated -0.44 (%) Plant
[PO:0006036] root epidermis
MSI_000019023 Unavailable 541.964 541.964 ~ 541.964
MzDiff: none
Not Annotated -0.41 (%) Plant
[PO:0020124] root stele
MSI_000019408 Unreliable 541.964 541.964 ~ 541.964
MzDiff: none
Not Annotated 0.7 (%) Plant
[PO:0025197] stele
MSI_000000383 Unreliable 541.9673 541.9673 ~ 541.9673
MzDiff: none
Not Annotated 0.28 (%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000336 Unreliable 541.9753 541.9753 ~ 541.9753
MzDiff: none
2-[(4-{3-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]propyl}-5-hydroxy-2-imino-3h-imidazol-4-yl)amino]ethanesulfonic acid (BioDeep_00002177353)
Formula: C14H20Br2N6O5S (541.9583)
0.7 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 5 Sample Hits
Metabolite Species Sample
m/z_541.9673

Formula: - (n/a)
Adducts: (Ppm: )
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

2-[(4-{3-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]propyl}-5-hydroxy-2-imino-3h-imidazol-4-yl)amino]ethanesulfonic acid

Formula: C14H20Br2N6O5S (541.9583)
Adducts: [M-H2O+NH4]+ (Ppm: 19.8)
Marker Pen (NA)
3ul_0.8Mpa_RAW_20241016-PAPER PNMK
Resolution: 30μm, 315x42

Description

By writing the four English letters “PNMK” on white paper with a marker pen, and then scanning with a DESI ion source to obtain the scanning result. The signal of the chemical substances on the marker pen used appears on the channel with an m/z value of 322.1918, 323.1953, 546.4010, and etc, from the single cell deconvolution sampling layer class_4. This test data was tested by chuxiaoping from PANOMIX’s R&D laboratory.

m/z_541.9611

Formula: - (n/a)
Adducts: (Ppm: )
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_541.9638

Formula: - (n/a)
Adducts: (Ppm: )
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-[(4-{3-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]propyl}-5-hydroxy-2-imino-3h-imidazol-4-yl)amino]ethanesulfonic acid

Formula: C14H20Br2N6O5S (541.9583)
Adducts: [M]+ (Ppm: 8.5)
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.