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 11 Reference Ions Near m/z 601.0516
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000017507 Reliable 601.0591 601.059 ~ 601.0591
MzDiff: 0.3 ppm
2-{3-[2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxyphenyl}-3,5,7-trihydroxychromen-4-one (BioDeep_00002123606)
Formula: C30H18O15 (618.0646)
2.19 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000010846 Unreliable 601.0417 601.0417 ~ 601.0417
MzDiff: none
Lonafarnib (BioDeep_00000229516)
Formula: C27H31Br2ClN4O2 (636.0502)
3.08 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010855 Unreliable 601.0516 601.0516 ~ 601.0516
MzDiff: none
7-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3-(2,4,6-trihydroxyphenoxy)oxanthrene-1,2,6,8-tetrol (BioDeep_00002299038)
Formula: C30H20O16 (636.0751)
3.05 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011026 Unreliable 601.059 601.059 ~ 601.059
MzDiff: none
2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol (BioDeep_00000008652)
Formula: C14H26N3O17P3 (601.0475)
2.56 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000053825 Unreliable 601.0593 601.0593 ~ 601.0593
MzDiff: 0.0 ppm
2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol (BioDeep_00000008652)
Formula: C14H26N3O17P3 (601.0475)
3.27 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000009541 Unavailable 601.0516 601.0516 ~ 601.0516
MzDiff: none
7-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3-(2,4,6-trihydroxyphenoxy)oxanthrene-1,2,6,8-tetrol (BioDeep_00002299038)
Formula: C30H20O16 (636.0751)
-0.85 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009557 Unavailable 601.0417 601.0417 ~ 601.0417
MzDiff: none
Lonafarnib (BioDeep_00000229516)
Formula: C27H31Br2ClN4O2 (636.0502)
-0.9 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009621 Unavailable 601.059 601.059 ~ 601.059
MzDiff: none
2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol (BioDeep_00000008652)
Formula: C14H26N3O17P3 (601.0475)
-1.14 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000054891 Unreliable 601.0592 601.0592 ~ 601.0592
MzDiff: none
7-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3-(2,4,6-trihydroxyphenoxy)oxanthrene-1,2,6,8-tetrol (BioDeep_00002299038)
Formula: C30H20O16 (636.0751)
1.66 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000004628 Unreliable 601.058 601.058 ~ 601.058
MzDiff: none
Not Annotated 0.38 (0%) Homo sapiens
[UBERON:0002107] liver
MSI_000010238 Unavailable 601.0588 601.0588 ~ 601.0588
MzDiff: none
7-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3-(2,4,6-trihydroxyphenoxy)oxanthrene-1,2,6,8-tetrol (BioDeep_00002299038)
Formula: C30H20O16 (636.0751)
-0.57 (100%) Bathymodiolus
[UBERON:0009120] gill filament

Found 4 Sample Hits
Metabolite Species Sample
7-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3-(2,4,6-trihydroxyphenoxy)oxanthrene-1,2,6,8-tetrol

Formula: C30H20O16 (636.0751)
Adducts: [M+H-2H2O]+ (Ppm: 16.1)
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-{3-[2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxyphenyl}-3,5,7-trihydroxychromen-4-one

Formula: C30H18O15 (618.0646)
Adducts: [M+H-H2O]+ (Ppm: 3.6)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

m/z_601.0546

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-[2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxyphenyl}-3,5,7-trihydroxychromen-4-one

Formula: C30H18O15 (618.0646)
Adducts: [M+H-H2O]+ (Ppm: 4.6)
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.