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 17 Reference Ions Near m/z 504.9841
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000010781 Unreliable 504.9864 504.9864 ~ 504.9864
MzDiff: none
3-Phosphocytidine 5-diphosphoramidate (BioDeep_00000016343)
Formula: C9H17N4O13P3 (482.0005)
3.23 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010829 Unreliable 504.9792 504.9792 ~ 504.9792
MzDiff: none
Thymidine 5'-triphosphate (BioDeep_00000001601)
Formula: C10H17N2O14P3 (481.9893)
3.11 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000025309 Unreliable 504.9753 504.975 ~ 504.9758
MzDiff: 3.1 ppm
Thymidine 5'-triphosphate (BioDeep_00000001601)
Formula: C10H17N2O14P3 (481.9893)
7.19 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000032290 Unreliable 504.9838 504.9836 ~ 504.984
MzDiff: 1.6 ppm
(3s)-4,4,4-trichloro-3-methyl-n-[(2s,4s,5s)-1,1,1-trichloro-5-hydroxy-7-methoxy-2,6,6-trimethyl-7-oxoheptan-4-yl]butanimidic acid (BioDeep_00002262680)
Formula: C16H25Cl6NO4 (504.9915)
5.63 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000013249 Unavailable 504.9841 504.9841 ~ 504.9841
MzDiff: none
Not Annotated -0.88 (0%) Plant
[PO:0005020] vascular bundle
MSI_000013346 Unreliable 504.9841 504.9841 ~ 504.9841
MzDiff: none
Not Annotated 1.43 (0%) Plant
[PO:0005417] phloem
MSI_000013370 Unreliable 504.9766 504.9766 ~ 504.9766
MzDiff: none
Thymidine 5'-triphosphate (BioDeep_00000001601)
Formula: C10H17N2O14P3 (481.9893)
1.35 (100%) Plant
[PO:0005417] phloem
MSI_000015060 Unavailable 504.9841 504.9841 ~ 504.9841
MzDiff: none
Not Annotated -0.54 (0%) Plant
[PO:0006036] root epidermis
MSI_000015157 Unavailable 504.9766 504.9766 ~ 504.9766
MzDiff: none
Thymidine 5'-triphosphate (BioDeep_00000001601)
Formula: C10H17N2O14P3 (481.9893)
-0.59 (100%) Plant
[PO:0006036] root epidermis
MSI_000019045 Unavailable 504.9766 504.9766 ~ 504.9766
MzDiff: none
Thymidine 5'-triphosphate (BioDeep_00000001601)
Formula: C10H17N2O14P3 (481.9893)
-0.54 (100%) Plant
[PO:0020124] root stele
MSI_000019059 Unavailable 504.9841 504.9841 ~ 504.9841
MzDiff: none
Not Annotated -0.67 (0%) Plant
[PO:0020124] root stele
MSI_000019387 Unreliable 504.9766 504.9766 ~ 504.9766
MzDiff: none
Thymidine 5'-triphosphate (BioDeep_00000001601)
Formula: C10H17N2O14P3 (481.9893)
0.76 (100%) Plant
[PO:0025197] stele
MSI_000019418 Unreliable 504.9841 504.9841 ~ 504.9841
MzDiff: none
Not Annotated 0.67 (0%) Plant
[PO:0025197] stele
MSI_000032352 Unreliable 504.9763 504.9763 ~ 504.9763
MzDiff: none
Thymidine 5'-triphosphate (BioDeep_00000001601)
Formula: C10H17N2O14P3 (481.9893)
1.49 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033906 Unreliable 504.9754 504.9754 ~ 504.9754
MzDiff: none
Thymidine 5'-triphosphate (BioDeep_00000001601)
Formula: C10H17N2O14P3 (481.9893)
0.28 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000051427 Unreliable 504.9757 504.9757 ~ 504.9757
MzDiff: none
Thymidine 5'-triphosphate (BioDeep_00000001601)
Formula: C10H17N2O14P3 (481.9893)
0 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000051428 Unreliable 504.9837 504.9837 ~ 504.9837
MzDiff: none
3-Phosphocytidine 5-diphosphoramidate (BioDeep_00000016343)
Formula: C9H17N4O13P3 (482.0005)
0 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 9 Sample Hits
Metabolite Species Sample
Thymidine 5'-triphosphate

Formula: C10H17N2O14P3 (481.9893)
Adducts: [M+Na]+ (Ppm: 1.4)
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.

3-Phosphocytidine 5-diphosphoramidate

Formula: C9H17N4O13P3 (482.0005)
Adducts: [M+Na]+ (Ppm: 6.6)
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.

m/z_504.9841

Formula: - (n/a)
Adducts: (Ppm: 0)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

(3s)-4,4,4-trichloro-3-methyl-n-[(2s,4s,5s)-1,1,1-trichloro-5-hydroxy-7-methoxy-2,6,6-trimethyl-7-oxoheptan-4-yl]butanimidic acid

Formula: C16H25Cl6NO4 (504.9915)
Adducts: [M]+ (Ppm: 14.5)
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-[(2s,4s,5s)-1,1,1-trichloro-5-hydroxy-7-methoxy-2,6,6-trimethyl-7-oxoheptan-4-yl]butanimidic acid

Formula: C16H25Cl6NO4 (504.9915)
Adducts: [M]+ (Ppm: 13.7)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

(3s)-4,4,4-trichloro-3-methyl-n-[(2s,4s,5s)-1,1,1-trichloro-5-hydroxy-7-methoxy-2,6,6-trimethyl-7-oxoheptan-4-yl]butanimidic acid

Formula: C16H25Cl6NO4 (504.9915)
Adducts: [M]+ (Ppm: 13.9)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

3-Phosphocytidine 5-diphosphoramidate

Formula: C9H17N4O13P3 (482.0005)
Adducts: [M+Na]+ (Ppm: 12.1)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

3-Phosphocytidine 5-diphosphoramidate

Formula: C9H17N4O13P3 (482.0005)
Adducts: [M+Na]+ (Ppm: 11.9)
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

3-Phosphocytidine 5-diphosphoramidate

Formula: C9H17N4O13P3 (482.0005)
Adducts: [M+Na]+ (Ppm: 12.5)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description