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 15 Reference Ions Near m/z 328.0548
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043097 Reliable 328.0592 328.059 ~ 328.0594
MzDiff: 1.7 ppm
Sertraline (BioDeep_00000002589)
Formula: C17H17Cl2N (305.0738)
9.51 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056779 Reliable 328.0592 328.059 ~ 328.0594
MzDiff: 1.7 ppm
Sertraline (BioDeep_00000002589)
Formula: C17H17Cl2N (305.0738)
9.51 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065281 Reliable 328.0584 328.0583 ~ 328.0586
MzDiff: 1.3 ppm
Sertraline (BioDeep_00000002589)
Formula: C17H17Cl2N (305.0738)
4.02 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065849 Reliable 328.0585 328.0583 ~ 328.0586
MzDiff: 1.2 ppm
Sertraline (BioDeep_00000002589)
Formula: C17H17Cl2N (305.0738)
1.85 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000053755 Unreliable 328.0516 328.0512 ~ 328.0518
MzDiff: 2.5 ppm
Aflatoxin M1 (BioDeep_00000001285)
Formula: C17H12O7 (328.0583)
3.22 (80%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000051818 Unreliable 328.062 328.062 ~ 328.062
MzDiff: none
Sertraline (BioDeep_00000002589)
Formula: C17H17Cl2N (305.0738)
2.43 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052591 Unreliable 328.0543 328.0543 ~ 328.0543
MzDiff: none
Flufenacet (BioDeep_00000001156)
Formula: C14H13F4N3O2S (363.0665)
1.44 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065882 Unreliable 328.0452 328.0451 ~ 328.0454
MzDiff: 1.6 ppm
Guanosine monophosphate (BioDeep_00000003009)
Formula: C10H14N5O8P (363.058)
1.33 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000012818 Unavailable 328.0508 328.0508 ~ 328.0508
MzDiff: none
Flufenacet (BioDeep_00000001156)
Formula: C14H13F4N3O2S (363.0665)
-0.48 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014060 Unavailable 328.0508 328.0508 ~ 328.0508
MzDiff: none
Flufenacet (BioDeep_00000001156)
Formula: C14H13F4N3O2S (363.0665)
-0.27 (100%) Plant
[PO:0005417] phloem
MSI_000014988 Unavailable 328.0508 328.0508 ~ 328.0508
MzDiff: none
Flufenacet (BioDeep_00000001156)
Formula: C14H13F4N3O2S (363.0665)
-0.51 (100%) Plant
[PO:0006036] root epidermis
MSI_000018376 Unreliable 328.0508 328.0508 ~ 328.0508
MzDiff: none
Flufenacet (BioDeep_00000001156)
Formula: C14H13F4N3O2S (363.0665)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000020036 Unavailable 328.0508 328.0508 ~ 328.0508
MzDiff: none
Flufenacet (BioDeep_00000001156)
Formula: C14H13F4N3O2S (363.0665)
-0.51 (100%) Plant
[PO:0025197] stele
MSI_000034038 Unreliable 328.0518 328.0518 ~ 328.0518
MzDiff: none
Aflatoxin M1 (BioDeep_00000001285)
Formula: C17H12O7 (328.0583)
0.05 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000037750 Unreliable 328.0554 328.0554 ~ 328.0554
MzDiff: none
Aflatoxin M1 (BioDeep_00000001285)
Formula: C17H12O7 (328.0583)
0.24 (100%) Posidonia oceanica
[UBERON:0000329] hair root

Found 27 Sample Hits
Metabolite Species Sample
Flufenacet

Formula: C14H13F4N3O2S (363.0665)
Adducts: [M+H-2H2O]+ (Ppm: 5.5)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

Aflatoxin M1

Formula: C17H12O7 (328.0583)
Adducts: [M]+ (Ppm: 18.1)
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.

13-hydroxy-14-methoxy-3,5,9,16-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1,6,8(18),11,13,15(19)-hexaene-10,17-dione

Formula: C16H8O8 (328.0219)
Adducts: [M-H2O+NH4]+ (Ppm: 17.1)
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.

Aristolochic acid C

Formula: C16H9NO7 (327.0379)
Adducts: [M+H]+ (Ppm: 18.4)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

Aflatoxin M1

Formula: C17H12O7 (328.0583)
Adducts: [M]+ (Ppm: 7.2)
Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

Aristolochic acid C

Formula: C16H9NO7 (327.0379)
Adducts: [M+H]+ (Ppm: 17.8)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 12.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 13.5)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Flufenacet

Formula: C14H13F4N3O2S (363.0665)
Adducts: [M+H-2H2O]+ (Ppm: 6.7)
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.

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 14.7)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

Flufenacet

Formula: C14H13F4N3O2S (363.0665)
Adducts: [M+H-2H2O]+ (Ppm: 3.6)
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).

m/z_328.0496

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 19.3)
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).

Flufenacet

Formula: C14H13F4N3O2S (363.0665)
Adducts: [M+H-2H2O]+ (Ppm: 5.2)
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).

4-[(2-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid

Formula: C16H12N2O4S (328.0518)
Adducts: [M]+ (Ppm: 1.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 13.8)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 14.1)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

O-Ethyl S,S-diphenyl phosphorodithioate

Formula: C14H15O2PS2 (310.0251)
Adducts: [M+NH4]+ (Ppm: 3.8)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 13.8)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 13.5)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 13.5)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 11.3)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 13.8)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 14.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 13.5)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 14.4)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

Sertraline

Formula: C17H17Cl2N (305.0738)
Adducts: [M+Na]+ (Ppm: 13.8)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description