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 740.5321
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043494 Reliable 740.5256 740.5252 ~ 740.526
MzDiff: 3.2 ppm
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
15.46 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046419 Reliable 740.5228 740.5228 ~ 740.5228
MzDiff: none
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
4.8 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000007254 Reliable 740.5223 740.5221 ~ 740.5225
MzDiff: 1.8 ppm
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
4.77 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000043301 Unreliable 740.5236 740.5234 ~ 740.524
MzDiff: 2.7 ppm
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
5.46 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065572 Unreliable 740.5238 740.5238 ~ 740.5239
MzDiff: 0.6 ppm
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
2.35 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000051701 Unreliable 740.5254 740.5254 ~ 740.5254
MzDiff: none
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
2.59 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047291 Unreliable 740.5288 740.5288 ~ 740.5288
MzDiff: none
PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018548)
Formula: C45H78NO7P (775.5516)
2.43 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051758 Unreliable 740.5321 740.5321 ~ 740.5321
MzDiff: none
PG(a-13:0/i-19:0) (BioDeep_00000108999)
Formula: C38H75O10P (722.5098)
2.48 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047549 Unreliable 740.5355 740.5355 ~ 740.5355
MzDiff: none
SM(d16:1/20:3(6,8,11)-OH(5)) (BioDeep_00000215288)
Formula: C41H77N2O7P (740.5468)
2.24 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052326 Unreliable 740.5389 740.5389 ~ 740.5389
MzDiff: none
Not Annotated 2.19 (%) Homo sapiens
[UBERON:0001052] rectum
MSI_000057571 Unreliable 740.524 740.524 ~ 740.524
MzDiff: none
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
0.83 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000027812 Unreliable 740.5251 740.5251 ~ 740.5251
MzDiff: none
PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018548)
Formula: C45H78NO7P (775.5516)
2.04 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000056265 Unavailable 740.5267 740.5267 ~ 740.5267
MzDiff: none
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
-0.58 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 7 Sample Hits
Metabolite Species Sample
PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H78NO7P (775.5516)
Adducts: [M+H-2H2O]+ (Ppm: 17)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

PE(16:0/20:4)

Formula: C41H74NO8P (739.5152)
Adducts: [M+H]+ (Ppm: 0.5)
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.

PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C45H78NO7P (775.5516)
Adducts: [M+H-2H2O]+ (Ppm: 12)
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).

PG(a-13:0/i-19:0)

Formula: C38H75O10P (722.5098)
Adducts: [M+NH4]+ (Ppm: 14.8)
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).

PG(a-13:0/i-19:0)

Formula: C38H75O10P (722.5098)
Adducts: [M+NH4]+ (Ppm: 15.5)
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).

PG(a-13:0/i-19:0)

Formula: C38H75O10P (722.5098)
Adducts: [M+NH4]+ (Ppm: 17)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(16:0/20:4)

Formula: C41H74NO8P (739.5152)
Adducts: [M+H]+ (Ppm: 4.2)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description