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 816.4337
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000063283 Reliable 816.4346 816.4345 ~ 816.4347
MzDiff: 1.0 ppm
PA(18:4(6Z,9Z,12Z,15Z)/LTE4) (BioDeep_00000189334)
Formula: C44H70NO11PS (851.4407)
0.7 (80%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000022029 Unreliable 816.4358 816.4358 ~ 816.4358
MzDiff: none
Cyclosquamosin B (BioDeep_00000228173)
Formula: C39H65N9O10S (851.4575)
0.49 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000058590 Unreliable 816.4346 816.4346 ~ 816.4346
MzDiff: 0.0 ppm
PA(18:4(6Z,9Z,12Z,15Z)/LTE4) (BioDeep_00000189334)
Formula: C44H70NO11PS (851.4407)
3.36 (50%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062940 Unreliable 816.4367 816.4367 ~ 816.4367
MzDiff: none
PGP(a-13:0/18:2(10E,12Z)+=O(9)) (BioDeep_00000199312)
Formula: C37H68O14P2 (798.4084)
1.41 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000002961 Unavailable 816.4337 816.4337 ~ 816.4337
MzDiff: none
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid (BioDeep_00002184526)
Formula: C42H62ClN5O9 (815.4236)
-0.69 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003657 Unavailable 816.4337 816.4337 ~ 816.4337
MzDiff: none
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid (BioDeep_00002184526)
Formula: C42H62ClN5O9 (815.4236)
-0.87 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000005307 Unavailable 816.4337 816.4337 ~ 816.4337
MzDiff: none
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid (BioDeep_00002184526)
Formula: C42H62ClN5O9 (815.4236)
-0.91 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005524 Unreliable 816.4337 816.4337 ~ 816.4337
MzDiff: none
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid (BioDeep_00002184526)
Formula: C42H62ClN5O9 (815.4236)
1.62 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000059958 Unavailable 816.4346 816.4346 ~ 816.4346
MzDiff: none
Not Annotated -0.75 (0%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060643 Unavailable 816.4346 816.4346 ~ 816.4346
MzDiff: none
Not Annotated -0.39 (0%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000063050 Unreliable 816.4367 816.4367 ~ 816.4367
MzDiff: none
PGP(a-13:0/18:2(10E,12Z)+=O(9)) (BioDeep_00000199312)
Formula: C37H68O14P2 (798.4084)
0.16 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 8 Sample Hits
Metabolite Species Sample
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid

Formula: C42H62ClN5O9 (815.4236)
Adducts: [M+H]+ (Ppm: 3.5)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

Cyclosquamosin B

Formula: C39H65N9O10S (851.4575)
Adducts: [M+H-2H2O]+ (Ppm: 9.6)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Cyclosquamosin B

Formula: C39H65N9O10S (851.4575)
Adducts: [M+H-2H2O]+ (Ppm: 13.9)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). Ion images of (a) m/z 796.6856 ([U13C-DPPC+Na]+), (b) m/z 756.5154 [PC32:0+Na]+ and (c) m/z 765.6079 ([D9-PC32:0+Na]+). (d) Overlay image of [U13C-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

Cyclosquamosin B

Formula: C39H65N9O10S (851.4575)
Adducts: [M+H-2H2O]+ (Ppm: 12.8)
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.

m/z_816.4346

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description

PA(18:4(6Z,9Z,12Z,15Z)/LTE4)

Formula: C44H70NO11PS (851.4407)
Adducts: [M+H-2H2O]+ (Ppm: 9.6)
Mus musculus (brain)
Brain02_Bregma1-42_03
Resolution: 17μm, 483x403

Description

PS(18:4(6Z,9Z,12Z,15Z)/PGJ2)

Formula: C44H68NO12P (833.4479)
Adducts: [M+H-H2O]+ (Ppm: 12.4)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

PA(18:4(6Z,9Z,12Z,15Z)/LTE4)

Formula: C44H70NO11PS (851.4407)
Adducts: [M+H-2H2O]+ (Ppm: 9.5)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description