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 13 Reference Ions Near m/z 797.5555
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000047472 Unreliable 797.5501 797.5501 ~ 797.5501
MzDiff: none
Not Annotated 2.27 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047711 Unreliable 797.5578 797.5578 ~ 797.5578
MzDiff: none
Not Annotated 2.16 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052150 Unreliable 797.5455 797.5455 ~ 797.5455
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
2.3 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052191 Unreliable 797.5531 797.5531 ~ 797.5531
MzDiff: none
Not Annotated 2.28 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009169 Unreliable 797.5508 797.5508 ~ 797.5508
MzDiff: none
(1r,3as,3bs,7r,9ar,9bs,11ar)-1-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl (9e,17e)-18-bromooctadeca-9,17-dien-7,15-diynoate (BioDeep_00002252073)
Formula: C48H71BrO2 (758.4637)
3.01 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009193 Unreliable 797.5596 797.5596 ~ 797.5596
MzDiff: none
Not Annotated 2.98 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000649 Unavailable 797.5508 797.5508 ~ 797.5508
MzDiff: none
(1r,3as,3bs,7r,9ar,9bs,11ar)-1-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl (9e,17e)-18-bromooctadeca-9,17-dien-7,15-diynoate (BioDeep_00002252073)
Formula: C48H71BrO2 (758.4637)
-0.53 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000678 Unavailable 797.5596 797.5596 ~ 797.5596
MzDiff: none
Not Annotated -0.54 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000004104 Unreliable 797.5497 797.5497 ~ 797.5497
MzDiff: none
PS(22:4(7Z,10Z,13Z,16Z)/15:0) (BioDeep_00000105146)
Formula: C43H76NO10P (797.5207)
1.04 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000028666 Unreliable 797.5465 797.5465 ~ 797.5465
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
0.65 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029385 Unreliable 797.5465 797.5465 ~ 797.5465
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
1.07 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000031016 Unreliable 797.5465 797.5465 ~ 797.5465
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/16:0) (BioDeep_00000032548)
Formula: C40H77NO11S (779.5217)
0.27 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000044577 Unavailable 797.5651 797.5651 ~ 797.5651
MzDiff: none
PA(22:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190542)
Formula: C45H81O9P (796.5618)
-0.38 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 10 Sample Hits
Metabolite Species Sample
(1r,3as,3bs,7r,9ar,9bs,11ar)-1-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl (9e,17e)-18-bromooctadeca-9,17-dien-7,15-diynoate

Formula: C48H71BrO2 (758.4637)
Adducts: [M+K]+ (Ppm: 13.4)
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(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H81O9P (796.5618)
Adducts: [M+H]+ (Ppm: 15.6)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

3-O-Sulfogalactosylceramide (d18:1/16:0)

Formula: C40H77NO11S (779.5217)
Adducts: [M+NH4]+ (Ppm: 10.7)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PA(22:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H81O9P (796.5618)
Adducts: [M+H]+ (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.

m/z_797.5578

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

m/z_797.5538

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

m/z_797.5531

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

m/z_797.5558

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PA(22:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H81O9P (796.5618)
Adducts: [M+H]+ (Ppm: 17)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z))

Formula: C44H77O10P (796.5254)
Adducts: [M+H]+ (Ppm: 15.8)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB