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 5 Reference Ions Near m/z 632.3864
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011646 Unavailable 632.3795 632.3795 ~ 632.3795
MzDiff: none
(2s,3r,4s,5r)-2-[2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol (BioDeep_00002285212)
Formula: C34H58Cl2O6 (632.361)
-1.84 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009109 Unreliable 632.3795 632.3795 ~ 632.3795
MzDiff: none
(2s,3r,4s,5r)-2-[2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol (BioDeep_00002285212)
Formula: C34H58Cl2O6 (632.361)
3.07 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000043403 Unreliable 632.3864 632.3864 ~ 632.3864
MzDiff: none
Gluten exorphin C (BioDeep_00000053857)
Formula: C29H57N5O12 (667.4004)
1.74 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000000719 Unavailable 632.3795 632.3795 ~ 632.3795
MzDiff: none
(2s,3r,4s,5r)-2-[2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol (BioDeep_00002285212)
Formula: C34H58Cl2O6 (632.361)
-0.56 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000057635 Unreliable 632.3764 632.3764 ~ 632.3764
MzDiff: none
Gluten exorphin C (BioDeep_00000053857)
Formula: C29H57N5O12 (667.4004)
0.74 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 7 Sample Hits
Metabolite Species Sample
(2s,3r,4s,5r)-2-[2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol

Formula: C34H58Cl2O6 (632.361)
Adducts: [M-H2O+NH4]+ (Ppm: 7.6)
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.

Gluten exorphin C

Formula: C29H57N5O12 (667.4004)
Adducts: [M+H-2H2O]+ (Ppm: 6.5)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Gluten exorphin C

Formula: C29H57N5O12 (667.4004)
Adducts: [M+H-2H2O]+ (Ppm: 0.2)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Gluten exorphin C

Formula: C29H57N5O12 (667.4004)
Adducts: [M+H-2H2O]+ (Ppm: 4.6)
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.

Toxiferine

Formula: C40H46N4O2+2 (614.3621)
Adducts: [M+NH4]+ (Ppm: 8.5)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

Gluten exorphin C

Formula: C29H57N5O12 (667.4004)
Adducts: [M+H-2H2O]+ (Ppm: 1.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Gluten exorphin C

Formula: C29H57N5O12 (667.4004)
Adducts: [M+H-2H2O]+ (Ppm: 0.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description