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 8 Reference Ions Near m/z 836.5094
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046499 Reliable 836.5154 836.5154 ~ 836.5154
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
4.37 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000021310 Unreliable 836.5194 836.5194 ~ 836.5194
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
1.15 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000062927 Unreliable 836.5004 836.5004 ~ 836.5004
MzDiff: none
PE(DiMe(11,3)/6 keto-PGF1alpha) (BioDeep_00000209674)
Formula: C45H78NO13P (871.5211)
1.64 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000030125 Unreliable 836.5019 836.5019 ~ 836.5019
MzDiff: none
PS(15:0/6 keto-PGF1alpha) (BioDeep_00000206030)
Formula: C41H74NO14P (835.4847)
2.26 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030350 Unreliable 836.5155 836.5155 ~ 836.5155
MzDiff: none
PE(20:3(5Z,8Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000187196)
Formula: C45H74NO11P (835.4999)
1.9 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030386 Unreliable 836.5099 836.5099 ~ 836.5099
MzDiff: none
Not Annotated 1.85 (0%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031498 Unreliable 836.5155 836.5155 ~ 836.5155
MzDiff: none
PE(20:3(5Z,8Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000187196)
Formula: C45H74NO11P (835.4999)
0.57 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031578 Unreliable 836.5099 836.5099 ~ 836.5099
MzDiff: none
Not Annotated 0.28 (0%) Macropus giganteus
[UBERON:0006093] precuneus cortex

Found 9 Sample Hits
Metabolite Species Sample
m/z_836.511

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). 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-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

m/z_836.5099

Formula: - (n/a)
Adducts: (Ppm: 0)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 15.7)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (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.

PE(18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C43H76NO11P (813.5156)
Adducts: [M+Na]+ (Ppm: 5.5)
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).

PE(20:3(5Z,8Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H74NO11P (835.4999)
Adducts: [M+H]+ (Ppm: 3.9)
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).

PE(20:3(5Z,8Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H74NO11P (835.4999)
Adducts: [M+H]+ (Ppm: 1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 8.3)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 7)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description