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 12 Reference Ions Near m/z 623.4947
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000061215 Reliable 623.5029 623.5029 ~ 623.5029
MzDiff: 0.0 ppm
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
1.7 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000060276 Unreliable 623.5035 623.5034 ~ 623.5035
MzDiff: 0.8 ppm
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
0.18 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000002995 Unavailable 623.5041 623.5041 ~ 623.5041
MzDiff: none
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
-0.82 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003210 Unreliable 623.5041 623.5041 ~ 623.5041
MzDiff: none
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
0.91 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004254 Unreliable 623.5026 623.5026 ~ 623.5026
MzDiff: none
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
0.83 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000005338 Unavailable 623.5041 623.5041 ~ 623.5041
MzDiff: none
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
-1.04 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005546 Unreliable 623.5041 623.5041 ~ 623.5041
MzDiff: none
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
1.13 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000025137 Unreliable 623.5043 623.5043 ~ 623.5043
MzDiff: none
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
1.72 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue
MSI_000050182 Unreliable 623.491 623.491 ~ 623.491
MzDiff: none
Cer(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215079)
Formula: C40H65NO4 (623.4913)
0.65 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050590 Unreliable 623.491 623.491 ~ 623.491
MzDiff: none
Cer(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215079)
Formula: C40H65NO4 (623.4913)
1.75 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000059262 Unavailable 623.5034 623.5034 ~ 623.5034
MzDiff: none
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
-1.01 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059735 Unreliable 623.5034 623.5034 ~ 623.5034
MzDiff: none
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000028590)
Formula: C41H68O5 (640.5066)
0.02 (100%) Mus musculus
[UBERON:0002298] brainstem

Found 5 Sample Hits
Metabolite Species Sample
2-(3,7,11,15,19,23,27-Heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Formula: C44H66O4 (658.4961)
Adducts: [M+H-2H2O]+ (Ppm: 19.5)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)

Formula: C41H68O5 (640.5066)
Adducts: [M+H-H2O]+ (Ppm: 4.3)
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.

Cer(d16:1/6 keto-PGF1alpha)

Formula: C36H65NO7 (623.4761)
Adducts: [M-H2O+NH4]+ (Ppm: 7.4)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

Asitribin

Formula: C37H66O7 (622.4808)
Adducts: [M+H]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)

Formula: C41H68O5 (640.5066)
Adducts: [M+H-H2O]+ (Ppm: 0.2)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description