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 836.5539
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043087 Reliable 836.5466 836.5461 ~ 836.5469
MzDiff: 3.4 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
11.16 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046872 Reliable 836.5456 836.5451 ~ 836.5459
MzDiff: 3.2 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
6.89 (83%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065438 Unreliable 836.5478 836.5478 ~ 836.5478
MzDiff: 0.1 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
3.28 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000046971 Unreliable 836.5486 836.5486 ~ 836.5486
MzDiff: none
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000029774)
Formula: C50H80NO8P (853.5621)
3.08 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000046989 Unreliable 836.5565 836.5565 ~ 836.5565
MzDiff: none
PI(16:0/18:1(9Z)) (BioDeep_00000004083)
Formula: C43H81O13P (836.5415)
3.05 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051848 Unreliable 836.5501 836.5501 ~ 836.5501
MzDiff: none
PA(20:0/6 keto-PGF1alpha) (BioDeep_00000189640)
Formula: C43H79O12P (818.5309)
2.41 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051870 Unreliable 836.5583 836.5583 ~ 836.5583
MzDiff: none
Not Annotated 2.4 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000043510 Unreliable 836.5513 836.5513 ~ 836.5513
MzDiff: none
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000029774)
Formula: C50H80NO8P (853.5621)
1.54 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065736 Unreliable 836.5467 836.5467 ~ 836.5467
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
1.51 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056140 Unavailable 836.5474 836.5474 ~ 836.5474
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
-0.56 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 15 Sample Hits
Metabolite Species Sample
PI(16:0/18:1(9Z))

Formula: C43H81O13P (836.5415)
Adducts: [M-H2O+NH4]+ (Ppm: 9.5)
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.

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 0.4)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C50H80NO8P (853.5621)
Adducts: [M+H-H2O]+ (Ppm: 9)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 0.1)
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.

PI(16:0/18:1(9Z))

Formula: C43H81O13P (836.5415)
Adducts: [M-H2O+NH4]+ (Ppm: 9.8)
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_836.556

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).

PA(20:0/6 keto-PGF1alpha)

Formula: C43H79O12P (818.5309)
Adducts: [M+NH4]+ (Ppm: 17.5)
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).

PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C50H80NO8P (853.5621)
Adducts: [M+H-H2O]+ (Ppm: 10.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PI(16:0/18:1(9Z))

Formula: C43H81O13P (836.5415)
Adducts: [M-H2O+NH4]+ (Ppm: 8)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C50H80NO8P (853.5621)
Adducts: [M+H-H2O]+ (Ppm: 11.9)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PI(16:0/18:1(9Z))

Formula: C43H81O13P (836.5415)
Adducts: [M-H2O+NH4]+ (Ppm: 12.9)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C50H80NO8P (853.5621)
Adducts: [M+H-H2O]+ (Ppm: 11.8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PI(16:0/18:1(9Z))

Formula: C43H81O13P (836.5415)
Adducts: [M-H2O+NH4]+ (Ppm: 13.3)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 0.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description