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 535.287
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000008081 Reliable 535.2798 535.2798 ~ 535.2798
MzDiff: 0.2 ppm
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] (BioDeep_00000021864)
Formula: C25H42O12 (534.2676)
12.22 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000008994 Unreliable 535.2847 535.2847 ~ 535.2847
MzDiff: none
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] (BioDeep_00000021864)
Formula: C25H42O12 (534.2676)
3.16 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009047 Unreliable 535.2917 535.2917 ~ 535.2917
MzDiff: none
Corchoroside A (BioDeep_00000007024)
Formula: C29H42O9 (534.2829)
3.13 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000010352 Unavailable 535.282 535.282 ~ 535.282
MzDiff: none
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] (BioDeep_00000021864)
Formula: C25H42O12 (534.2676)
-0.94 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000000429 Unavailable 535.2847 535.2847 ~ 535.2847
MzDiff: none
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] (BioDeep_00000021864)
Formula: C25H42O12 (534.2676)
-0.05 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000022435 Unreliable 535.2902 535.2902 ~ 535.2902
MzDiff: none
Corchoroside A (BioDeep_00000007024)
Formula: C29H42O9 (534.2829)
1.71 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000000457 Unavailable 535.2917 535.2917 ~ 535.2917
MzDiff: none
Corchoroside A (BioDeep_00000007024)
Formula: C29H42O9 (534.2829)
-0.19 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000029720 Unavailable 535.295 535.295 ~ 535.295
MzDiff: none
Corchoroside A (BioDeep_00000007024)
Formula: C29H42O9 (534.2829)
-0.19 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000001293 Unavailable 535.2969 535.2969 ~ 535.2969
MzDiff: none
OCHROCARPINONE A (BioDeep_00000237671)
Formula: C33H42O6 (534.2981)
-0.56 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001735 Unavailable 535.2969 535.2969 ~ 535.2969
MzDiff: none
OCHROCARPINONE A (BioDeep_00000237671)
Formula: C33H42O6 (534.2981)
-0.55 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002219 Unavailable 535.2969 535.2969 ~ 535.2969
MzDiff: none
OCHROCARPINONE A (BioDeep_00000237671)
Formula: C33H42O6 (534.2981)
-0.56 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney

Found 5 Sample Hits
Metabolite Species Sample
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside]

Formula: C25H42O12 (534.2676)
Adducts: [M+H]+ (Ppm: 18.3)
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.

Corchoroside A

Formula: C29H42O9 (534.2829)
Adducts: [M+H]+ (Ppm: 2.9)
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.

Corchoroside A

Formula: C29H42O9 (534.2829)
Adducts: [M+H]+ (Ppm: 0.1)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Corchoroside A

Formula: C29H42O9 (534.2829)
Adducts: [M+H]+ (Ppm: 5.9)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside]

Formula: C25H42O12 (534.2676)
Adducts: [M+H]+ (Ppm: 11.8)
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.