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 542.9914
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000016287 Reliable 542.9914 542.9914 ~ 542.9915
MzDiff: 0.2 ppm
(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid (BioDeep_00002145243)
Formula: C17H23Cl6N3O2S (542.9642)
2.02 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000010906 Unreliable 542.9819 542.9819 ~ 542.9819
MzDiff: none
(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid (BioDeep_00002145243)
Formula: C17H23Cl6N3O2S (542.9642)
2.95 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011002 Unreliable 542.9893 542.9893 ~ 542.9893
MzDiff: none
Not Annotated 2.66 (0%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000055017 Unreliable 542.9847 542.9847 ~ 542.9847
MzDiff: none
Not Annotated 1.57 (0%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000016801 Unavailable 542.9914 542.9914 ~ 542.9914
MzDiff: 0.0 ppm
(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid (BioDeep_00002145243)
Formula: C17H23Cl6N3O2S (542.9642)
-0.03 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000000403 Unreliable 542.9893 542.9893 ~ 542.9893
MzDiff: none
Not Annotated 0.09 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000505 Unavailable 542.9819 542.9819 ~ 542.9819
MzDiff: none
(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid (BioDeep_00002145243)
Formula: C17H23Cl6N3O2S (542.9642)
-0.33 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000013270 Unavailable 542.9914 542.9914 ~ 542.9914
MzDiff: none
2-Chloro-2'-deoxyadenosine-5'-triphosphate (BioDeep_00000054205)
Formula: C10H15ClN5O12P3 (524.9619)
-0.91 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013633 Unreliable 542.9914 542.9914 ~ 542.9914
MzDiff: none
2-Chloro-2'-deoxyadenosine-5'-triphosphate (BioDeep_00000054205)
Formula: C10H15ClN5O12P3 (524.9619)
0.53 (100%) Plant
[PO:0005417] phloem
MSI_000018765 Unreliable 542.9914 542.9914 ~ 542.9914
MzDiff: none
2-Chloro-2'-deoxyadenosine-5'-triphosphate (BioDeep_00000054205)
Formula: C10H15ClN5O12P3 (524.9619)
1.48 (100%) Plant
[PO:0020124] root stele
MSI_000019745 Unavailable 542.9914 542.9914 ~ 542.9914
MzDiff: none
2-Chloro-2'-deoxyadenosine-5'-triphosphate (BioDeep_00000054205)
Formula: C10H15ClN5O12P3 (524.9619)
-0.32 (100%) Plant
[PO:0025197] stele
MSI_000032836 Unreliable 542.9899 542.9899 ~ 542.9899
MzDiff: none
(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid (BioDeep_00002145243)
Formula: C17H23Cl6N3O2S (542.9642)
0.15 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033663 Unreliable 542.9899 542.9899 ~ 542.9899
MzDiff: none
(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid (BioDeep_00002145243)
Formula: C17H23Cl6N3O2S (542.9642)
1.11 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035953 Unavailable 542.9899 542.9899 ~ 542.9899
MzDiff: none
(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid (BioDeep_00002145243)
Formula: C17H23Cl6N3O2S (542.9642)
-0.39 (100%) Posidonia oceanica
[PO:0006203] pericycle

Found 8 Sample Hits
Metabolite Species Sample
m/z_542.9893

Formula: - (n/a)
Adducts: (Ppm: 0)
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-Chloro-2'-deoxyadenosine-5'-triphosphate

Formula: C10H15ClN5O12P3 (524.9619)
Adducts: [M+NH4]+ (Ppm: 7.9)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid

Formula: C17H23Cl6N3O2S (542.9642)
Adducts: [M-H2O+NH4]+ (Ppm: 7.2)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid

Formula: C17H23Cl6N3O2S (542.9642)
Adducts: [M-H2O+NH4]+ (Ppm: 7.2)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid

Formula: C17H23Cl6N3O2S (542.9642)
Adducts: [M-H2O+NH4]+ (Ppm: 7.4)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

m/z_542.9847

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.

(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid

Formula: C17H23Cl6N3O2S (542.9642)
Adducts: [M-H2O+NH4]+ (Ppm: 4.5)
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.

(3s)-4,4,4-trichloro-3-methyl-n-[(1s,3s)-4,4,4-trichloro-3-methyl-1-{methyl[(1r)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}butyl]butanimidic acid

Formula: C17H23Cl6N3O2S (542.9642)
Adducts: [M-H2O+NH4]+ (Ppm: 4.3)
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.