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 446.9274
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011125 Unreliable 446.9303 446.9303 ~ 446.9303
MzDiff: none
1-[4-bromo-5-(iodomethyl)-5-methoxy-2-oxofuran-3-yl]butyl acetate (BioDeep_00002134884)
Formula: C12H16BrIO5 (445.9226)
1.99 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011129 Unreliable 446.9213 446.9213 ~ 446.9213
MzDiff: none
6-bromo-3-[2-(6-bromo-1h-indole-3-carbonyl)-1h-imidazol-4-yl]-1h-indole (BioDeep_00002236744)
Formula: C20H12Br2N4O (481.9378)
1.98 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000032113 Unreliable 446.9186 446.918 ~ 446.919
MzDiff: 4.0 ppm
6-bromo-3-[2-(6-bromo-1h-indole-3-carbonyl)-1h-imidazol-4-yl]-1h-indole (BioDeep_00002236744)
Formula: C20H12Br2N4O (481.9378)
6.1 (67%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000009524 Unavailable 446.9303 446.9303 ~ 446.9303
MzDiff: none
1-[4-bromo-5-(iodomethyl)-5-methoxy-2-oxofuran-3-yl]butyl acetate (BioDeep_00002134884)
Formula: C12H16BrIO5 (445.9226)
-0.76 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009595 Unavailable 446.9213 446.9213 ~ 446.9213
MzDiff: none
6-bromo-3-[2-(6-bromo-1h-indole-3-carbonyl)-1h-imidazol-4-yl]-1h-indole (BioDeep_00002236744)
Formula: C20H12Br2N4O (481.9378)
-1.03 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000013229 Unavailable 446.9185 446.9185 ~ 446.9185
MzDiff: none
1,1-dibromo-2-iodooct-1-en-3-one (BioDeep_00002233039)
Formula: C8H11Br2IO (407.8221)
-0.86 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013489 Unreliable 446.9185 446.9185 ~ 446.9185
MzDiff: none
1,1-dibromo-2-iodooct-1-en-3-one (BioDeep_00002233039)
Formula: C8H11Br2IO (407.8221)
1 (100%) Plant
[PO:0005417] phloem
MSI_000014687 Unavailable 446.9185 446.9185 ~ 446.9185
MzDiff: none
1,1-dibromo-2-iodooct-1-en-3-one (BioDeep_00002233039)
Formula: C8H11Br2IO (407.8221)
-0.12 (100%) Plant
[PO:0006036] root epidermis
MSI_000019184 Unavailable 446.9185 446.9185 ~ 446.9185
MzDiff: none
1,1-dibromo-2-iodooct-1-en-3-one (BioDeep_00002233039)
Formula: C8H11Br2IO (407.8221)
-1.07 (100%) Plant
[PO:0020124] root stele
MSI_000019289 Unreliable 446.9185 446.9185 ~ 446.9185
MzDiff: none
1,1-dibromo-2-iodooct-1-en-3-one (BioDeep_00002233039)
Formula: C8H11Br2IO (407.8221)
1.05 (100%) Plant
[PO:0025197] stele
MSI_000032055 Unreliable 446.9274 446.9274 ~ 446.9274
MzDiff: none
1-[4-bromo-5-(iodomethyl)-5-methoxy-2-oxofuran-3-yl]butyl acetate (BioDeep_00002134884)
Formula: C12H16BrIO5 (445.9226)
2.47 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033935 Unreliable 446.918 446.918 ~ 446.918
MzDiff: none
6-bromo-3-[2-(6-bromo-1h-indole-3-carbonyl)-1h-imidazol-4-yl]-1h-indole (BioDeep_00002236744)
Formula: C20H12Br2N4O (481.9378)
0.22 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000034866 Unavailable 446.9274 446.9274 ~ 446.9274
MzDiff: none
1-[4-bromo-5-(iodomethyl)-5-methoxy-2-oxofuran-3-yl]butyl acetate (BioDeep_00002134884)
Formula: C12H16BrIO5 (445.9226)
-0.25 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000035020 Unavailable 446.918 446.918 ~ 446.918
MzDiff: none
6-bromo-3-[2-(6-bromo-1h-indole-3-carbonyl)-1h-imidazol-4-yl]-1h-indole (BioDeep_00002236744)
Formula: C20H12Br2N4O (481.9378)
-0.39 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000035795 Unavailable 446.918 446.918 ~ 446.918
MzDiff: none
6-bromo-3-[2-(6-bromo-1h-indole-3-carbonyl)-1h-imidazol-4-yl]-1h-indole (BioDeep_00002236744)
Formula: C20H12Br2N4O (481.9378)
-0.36 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000035990 Unavailable 446.9274 446.9274 ~ 446.9274
MzDiff: none
1-[4-bromo-5-(iodomethyl)-5-methoxy-2-oxofuran-3-yl]butyl acetate (BioDeep_00002134884)
Formula: C12H16BrIO5 (445.9226)
-0.4 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000038258 Unreliable 446.9285 446.9285 ~ 446.9285
MzDiff: none
1-[4-bromo-5-(iodomethyl)-5-methoxy-2-oxofuran-3-yl]butyl acetate (BioDeep_00002134884)
Formula: C12H16BrIO5 (445.9226)
1.5 (100%) Posidonia oceanica
[PO:0005020] vascular bundle

Found 3 Sample Hits
Metabolite Species Sample
1-[4-bromo-5-(iodomethyl)-5-methoxy-2-oxofuran-3-yl]butyl acetate

Formula: C12H16BrIO5 (445.9226)
Adducts: [M+H]+ (Ppm: 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.

1-[4-bromo-5-(iodomethyl)-5-methoxy-2-oxofuran-3-yl]butyl acetate

Formula: C12H16BrIO5 (445.9226)
Adducts: [M+H]+ (Ppm: 5.5)
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.

1-[4-bromo-5-(iodomethyl)-5-methoxy-2-oxofuran-3-yl]butyl acetate

Formula: C12H16BrIO5 (445.9226)
Adducts: [M+H]+ (Ppm: 3)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description