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 7 Reference Ions Near m/z 331.1032
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000054364 Reliable 331.0965 331.0962 ~ 331.0968
MzDiff: 2.6 ppm
Glycyrol (BioDeep_00000000939)
Formula: C21H18O6 (366.1103)
2.63 (50%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000018193 Unreliable 331.1083 331.1083 ~ 331.1083
MzDiff: none
Vanilloyl glucose (BioDeep_00000004044)
Formula: C14H18O9 (330.0951)
0.28 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000001246 Unavailable 331.1032 331.1032 ~ 331.1032
MzDiff: none
Vanilloyl glucose (BioDeep_00000004044)
Formula: C14H18O9 (330.0951)
-0.51 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001691 Unavailable 331.1032 331.1032 ~ 331.1032
MzDiff: none
Vanilloyl glucose (BioDeep_00000004044)
Formula: C14H18O9 (330.0951)
-0.51 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002149 Unavailable 331.1032 331.1032 ~ 331.1032
MzDiff: none
Vanilloyl glucose (BioDeep_00000004044)
Formula: C14H18O9 (330.0951)
-0.5 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000033228 Unreliable 331.1116 331.1116 ~ 331.1116
MzDiff: none
Acetylshikonin (BioDeep_00000000498)
Formula: C18H18O6 (330.1103)
2.24 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000033329 Unreliable 331.0962 331.0962 ~ 331.0962
MzDiff: none
Glycyrol (BioDeep_00000000939)
Formula: C21H18O6 (366.1103)
2.21 (100%) Posidonia oceanica
[PO:0005352] xylem

Found 3 Sample Hits
Metabolite Species Sample
Vanilloyl glucose

Formula: C14H18O9 (330.0951)
Adducts: [M+H]+ (Ppm: 2.6)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

AP-MALDI instrument demo test, mass spectrum scan in centroid mode.

2'-Deoxyadenosine 5'-phosphate

Formula: C10H14N5O6P (331.0682)
Adducts: [M-H2O+NH4]+ (Ppm: 8.4)
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.

Vanilloyl glucose

Formula: C14H18O9 (330.0951)
Adducts: [M+H]+ (Ppm: 12.2)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description