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 730.5478
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043904 Reliable 730.5396 730.5395 ~ 730.54
MzDiff: 1.8 ppm
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
6.76 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000009956 Unreliable 730.5381 730.5381 ~ 730.5381
MzDiff: 0.0 ppm
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
1.92 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000047560 Unreliable 730.5478 730.5478 ~ 730.5478
MzDiff: none
1-O-beta-D-Glucopyranosyl-2,3-di-O-palmitoylglycerol (BioDeep_00000022236)
Formula: C41H78O10 (730.5595)
2.23 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047587 Unreliable 730.5412 730.5412 ~ 730.5412
MzDiff: none
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
2.22 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051883 Unreliable 730.5428 730.5428 ~ 730.5428
MzDiff: none
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000026984)
Formula: C44H80NO7P (765.5672)
2.4 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051988 Unreliable 730.5515 730.5515 ~ 730.5515
MzDiff: none
Not Annotated 2.36 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065588 Unreliable 730.5386 730.5385 ~ 730.5388
MzDiff: 0.9 ppm
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
2.39 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000011800 Unreliable 730.5381 730.5381 ~ 730.5381
MzDiff: 0.0 ppm
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
1.28 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000043812 Unreliable 730.5413 730.5413 ~ 730.5413
MzDiff: none
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
1.28 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000004513 Unreliable 730.5378 730.5378 ~ 730.5378
MzDiff: none
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
0.5 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000026488 Unreliable 730.543 730.543 ~ 730.543
MzDiff: none
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000026984)
Formula: C44H80NO7P (765.5672)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000027005 Unreliable 730.5409 730.5409 ~ 730.5409
MzDiff: none
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000026984)
Formula: C44H80NO7P (765.5672)
1.78 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000027954 Unreliable 730.5393 730.5393 ~ 730.5393
MzDiff: none
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000026984)
Formula: C44H80NO7P (765.5672)
1.96 (100%) Mus musculus
[UBERON:0002048] lung

Found 11 Sample Hits
Metabolite Species Sample
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H80NO7P (765.5672)
Adducts: [M+H-2H2O]+ (Ppm: 14.2)
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.

m/z_730.551

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M+H]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M+H]+ (Ppm: 9.3)
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.

1-O-beta-D-Glucopyranosyl-2,3-di-O-palmitoylglycerol

Formula: C41H78O10 (730.5595)
Adducts: [M]+ (Ppm: 15.2)
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).

PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H80NO7P (765.5672)
Adducts: [M+H-2H2O]+ (Ppm: 6.2)
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_730.5515

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_730.5483

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

Description

1-O-beta-D-Glucopyranosyl-2,3-di-O-palmitoylglycerol

Formula: C41H78O10 (730.5595)
Adducts: [M]+ (Ppm: 11.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H80NO7P (765.5672)
Adducts: [M+H-2H2O]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H80NO7P (765.5672)
Adducts: [M+H-2H2O]+ (Ppm: 5.1)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description