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 344.0278
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000065556 Reliable 344.0323 344.0322 ~ 344.0324
MzDiff: 1.2 ppm
methoxychlor (BioDeep_00000008459)
Formula: C16H15Cl3O2 (344.0138)
2.74 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056762 Unreliable 344.0328 344.0323 ~ 344.0329
MzDiff: 2.7 ppm
methoxychlor (BioDeep_00000008459)
Formula: C16H15Cl3O2 (344.0138)
2.63 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065891 Unreliable 344.0324 344.0322 ~ 344.0327
MzDiff: 2.3 ppm
methoxychlor (BioDeep_00000008459)
Formula: C16H15Cl3O2 (344.0138)
1.24 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000013298 Unavailable 344.0247 344.0247 ~ 344.0247
MzDiff: none
6-Thioguanosine monophosphate (BioDeep_00000011308)
Formula: C10H14N5O7PS (379.0352)
-0.95 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013508 Unreliable 344.0247 344.0247 ~ 344.0247
MzDiff: none
6-Thioguanosine monophosphate (BioDeep_00000011308)
Formula: C10H14N5O7PS (379.0352)
0.93 (100%) Plant
[PO:0005417] phloem
MSI_000018841 Unreliable 344.0247 344.0247 ~ 344.0247
MzDiff: none
6-Thioguanosine monophosphate (BioDeep_00000011308)
Formula: C10H14N5O7PS (379.0352)
1.18 (100%) Plant
[PO:0020124] root stele
MSI_000019725 Unavailable 344.0247 344.0247 ~ 344.0247
MzDiff: none
6-Thioguanosine monophosphate (BioDeep_00000011308)
Formula: C10H14N5O7PS (379.0352)
-0.28 (100%) Plant
[PO:0025197] stele
MSI_000032618 Unreliable 344.0245 344.0245 ~ 344.0245
MzDiff: none
(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-6-methyl-4,5-dihydro-1h-pyrimidine-4-carboxylic acid (BioDeep_00002132583)
Formula: C12H14BrN3O4 (343.0168)
0.75 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033666 Unreliable 344.0245 344.0245 ~ 344.0245
MzDiff: none
(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-6-methyl-4,5-dihydro-1h-pyrimidine-4-carboxylic acid (BioDeep_00002132583)
Formula: C12H14BrN3O4 (343.0168)
1.1 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000037551 Unreliable 344.025 344.025 ~ 344.025
MzDiff: none
(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-6-methyl-4,5-dihydro-1h-pyrimidine-4-carboxylic acid (BioDeep_00002132583)
Formula: C12H14BrN3O4 (343.0168)
1.03 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000040471 Unavailable 344.0248 344.0248 ~ 344.0248
MzDiff: none
(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-6-methyl-4,5-dihydro-1h-pyrimidine-4-carboxylic acid (BioDeep_00002132583)
Formula: C12H14BrN3O4 (343.0168)
-0.22 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 15 Sample Hits
Metabolite Species Sample
6-Thioguanosine monophosphate

Formula: C10H14N5O7PS (379.0352)
Adducts: [M+H-2H2O]+ (Ppm: 9.9)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-6-methyl-4,5-dihydro-1h-pyrimidine-4-carboxylic acid

Formula: C12H14BrN3O4 (343.0168)
Adducts: [M+H]+ (Ppm: 1.3)
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.

(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-6-methyl-4,5-dihydro-1h-pyrimidine-4-carboxylic acid

Formula: C12H14BrN3O4 (343.0168)
Adducts: [M+H]+ (Ppm: 1.6)
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.

(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-6-methyl-4,5-dihydro-1h-pyrimidine-4-carboxylic acid

Formula: C12H14BrN3O4 (343.0168)
Adducts: [M+H]+ (Ppm: 2.8)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-6-methyl-4,5-dihydro-1h-pyrimidine-4-carboxylic acid

Formula: C12H14BrN3O4 (343.0168)
Adducts: [M+H]+ (Ppm: 2.8)
Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-6-methyl-4,5-dihydro-1h-pyrimidine-4-carboxylic acid

Formula: C12H14BrN3O4 (343.0168)
Adducts: [M+H]+ (Ppm: 2.2)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

methoxychlor

Formula: C16H15Cl3O2 (344.0138)
Adducts: [M-H2O+NH4]+ (Ppm: 16.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

methoxychlor

Formula: C16H15Cl3O2 (344.0138)
Adducts: [M-H2O+NH4]+ (Ppm: 13.4)
Mus musculus (Liver)
Salmonella_final_pos_recal
Resolution: 17μm, 691x430

Description

A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium. [dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671.

Sultosilic acid

Formula: C13H12O7S2 (344.0024)
Adducts: [M-H2O+NH4]+ (Ppm: 5.8)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Oxyfluorfen

Formula: C15H11ClF3NO4 (361.0329)
Adducts: [M+H-H2O]+ (Ppm: 2.7)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Sultosilic acid

Formula: C13H12O7S2 (344.0024)
Adducts: [M-H2O+NH4]+ (Ppm: 6.1)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Sultosilic acid

Formula: C13H12O7S2 (344.0024)
Adducts: [M-H2O+NH4]+ (Ppm: 6.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

methoxychlor

Formula: C16H15Cl3O2 (344.0138)
Adducts: [M-H2O+NH4]+ (Ppm: 13.7)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

methoxychlor

Formula: C16H15Cl3O2 (344.0138)
Adducts: [M-H2O+NH4]+ (Ppm: 13.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

methoxychlor

Formula: C16H15Cl3O2 (344.0138)
Adducts: [M-H2O+NH4]+ (Ppm: 14)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description