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 774.5859
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000052291 Unreliable 774.585 774.585 ~ 774.585
MzDiff: none
PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018536)
Formula: C46H82NO7P (791.5829)
2.22 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065565 Unreliable 774.5925 774.5924 ~ 774.5927
MzDiff: 1.2 ppm
PE(14:0/24:1(15Z)) (BioDeep_00000030103)
Formula: C43H84NO8P (773.5934)
2.56 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043772 Unreliable 774.595 774.595 ~ 774.595
MzDiff: none
PE(14:0/24:1(15Z)) (BioDeep_00000030103)
Formula: C43H84NO8P (773.5934)
1.31 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000026849 Unreliable 774.5777 774.5777 ~ 774.5777
MzDiff: none
PC(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000027117)
Formula: C46H84NO8P (809.5934)
1.78 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000028023 Unreliable 774.5788 774.5788 ~ 774.5788
MzDiff: none
PC(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000027117)
Formula: C46H84NO8P (809.5934)
1.84 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000028159 Unreliable 774.5859 774.5859 ~ 774.5859
MzDiff: none
SM(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000215268)
Formula: C41H77N2O8P (756.5417)
1.83 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028359 Unreliable 774.5942 774.5942 ~ 774.5942
MzDiff: none
PC(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000027117)
Formula: C46H84NO8P (809.5934)
1.31 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029498 Unreliable 774.5942 774.5942 ~ 774.5942
MzDiff: none
PC(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000027117)
Formula: C46H84NO8P (809.5934)
0.66 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum

Found 6 Sample Hits
Metabolite Species Sample
m/z_774.5934

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

m/z_774.5822

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.

SM(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C41H77N2O8P (756.5417)
Adducts: [M+NH4]+ (Ppm: 13.4)
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

PS(16:0/16:0)

Formula: C38H74NO10P (735.505)
Adducts: [M+K]+ (Ppm: 17.4)
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.

SM(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C41H77N2O8P (756.5417)
Adducts: [M+NH4]+ (Ppm: 11.4)
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).

PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H82NO7P (791.5829)
Adducts: [M+H-H2O]+ (Ppm: 7)
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).