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 10 Reference Ions Near m/z 799.5799
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043754 Unreliable 799.5712 799.5712 ~ 799.5712
MzDiff: none
PA(22:0/20:3(6,8,11)-OH(5)) (BioDeep_00000190644)
Formula: C45H83O9P (798.5774)
1.32 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000009114 Unreliable 799.5796 799.5796 ~ 799.5796
MzDiff: none
(2r)-2-[(2r)-2-[(2r)-2-[(2r)-2-{[(2r)-2-[(2s)-n,4-dimethyl-2-(methylamino)pentanamido]-1-hydroxy-3-methylbutylidene]amino}-n,3-dimethylbutanamido]-n,3-dimethylbutanamido]-n,3-dimethylbutanamido]-3-methyl-n-(2-phenylethyl)butanimidic acid (BioDeep_00002274159)
Formula: C44H77N7O6 (799.5935)
3.07 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009152 Unreliable 799.5713 799.5713 ~ 799.5713
MzDiff: none
PA(22:0/20:3(6,8,11)-OH(5)) (BioDeep_00000190644)
Formula: C45H83O9P (798.5774)
3.03 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000591 Unavailable 799.5713 799.5713 ~ 799.5713
MzDiff: none
PA(22:0/20:3(6,8,11)-OH(5)) (BioDeep_00000190644)
Formula: C45H83O9P (798.5774)
-0.48 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000797 Unavailable 799.5796 799.5796 ~ 799.5796
MzDiff: none
(2r)-2-[(2r)-2-[(2r)-2-[(2r)-2-{[(2r)-2-[(2s)-n,4-dimethyl-2-(methylamino)pentanamido]-1-hydroxy-3-methylbutylidene]amino}-n,3-dimethylbutanamido]-n,3-dimethylbutanamido]-n,3-dimethylbutanamido]-3-methyl-n-(2-phenylethyl)butanimidic acid (BioDeep_00002274159)
Formula: C44H77N7O6 (799.5935)
-0.6 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028232 Unreliable 799.5848 799.5848 ~ 799.5848
MzDiff: none
PC(18:2/18:2) (BioDeep_00000019232)
Formula: C44H80NO8P (781.5621)
1.64 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028486 Unreliable 799.5739 799.5739 ~ 799.5739
MzDiff: none
PA(22:0/20:3(6,8,11)-OH(5)) (BioDeep_00000190644)
Formula: C45H83O9P (798.5774)
1.02 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029472 Unreliable 799.5739 799.5739 ~ 799.5739
MzDiff: none
PA(22:0/20:3(6,8,11)-OH(5)) (BioDeep_00000190644)
Formula: C45H83O9P (798.5774)
0.78 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030947 Unreliable 799.5739 799.5739 ~ 799.5739
MzDiff: none
PA(22:0/20:3(6,8,11)-OH(5)) (BioDeep_00000190644)
Formula: C45H83O9P (798.5774)
0.5 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000044121 Unreliable 799.5706 799.5706 ~ 799.5706
MzDiff: none
PA(22:0/20:3(6,8,11)-OH(5)) (BioDeep_00000190644)
Formula: C45H83O9P (798.5774)
1.32 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 4 Sample Hits
Metabolite Species Sample
(2r)-2-[(2r)-2-[(2r)-2-[(2r)-2-{[(2r)-2-[(2s)-n,4-dimethyl-2-(methylamino)pentanamido]-1-hydroxy-3-methylbutylidene]amino}-n,3-dimethylbutanamido]-n,3-dimethylbutanamido]-n,3-dimethylbutanamido]-3-methyl-n-(2-phenylethyl)butanimidic acid

Formula: C44H77N7O6 (799.5935)
Adducts: [M]+ (Ppm: 16.7)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

PA(22:0/20:3(6,8,11)-OH(5))

Formula: C45H83O9P (798.5774)
Adducts: [M+H]+ (Ppm: 6.5)
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.

PA(22:0/20:3(6,8,11)-OH(5))

Formula: C45H83O9P (798.5774)
Adducts: [M+H]+ (Ppm: 13.5)
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

PA(22:0/20:3(6,8,11)-OH(5))

Formula: C45H83O9P (798.5774)
Adducts: [M+H]+ (Ppm: 6)
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.