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 18 Reference Ions Near m/z 818.557
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000056775 Reliable 818.5474 818.5472 ~ 818.5478
MzDiff: 2.7 ppm
PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)
10.46 (70%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043220 Reliable 818.5484 818.5483 ~ 818.5486
MzDiff: 1.4 ppm
PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)
4.51 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043704 Unreliable 818.5495 818.5492 ~ 818.5497
MzDiff: 2.3 ppm
PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)
2.47 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047595 Unreliable 818.5586 818.5586 ~ 818.5586
MzDiff: none
Not Annotated 2.22 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047671 Unreliable 818.5667 818.5667 ~ 818.5667
MzDiff: none
Not Annotated 2.18 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047701 Unreliable 818.551 818.551 ~ 818.551
MzDiff: none
PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)
2.16 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051958 Unreliable 818.5633 818.5633 ~ 818.5633
MzDiff: none
Not Annotated 2.37 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052020 Unreliable 818.5494 818.5494 ~ 818.5494
MzDiff: none
PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)
2.35 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052195 Unreliable 818.557 818.557 ~ 818.557
MzDiff: none
Not Annotated 2.28 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000026295 Unreliable 818.5631 818.5631 ~ 818.5631
MzDiff: 0.0 ppm
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276)
Formula: C47H80NO8P (817.5621)
3.54 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000065473 Unreliable 818.5481 818.5481 ~ 818.5481
MzDiff: none
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
1.86 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000028762 Unreliable 818.5581 818.5581 ~ 818.5581
MzDiff: none
PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)
0.4 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029029 Unreliable 818.5502 818.5502 ~ 818.5502
MzDiff: none
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000029774)
Formula: C50H80NO8P (853.5621)
0.01 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029150 Unreliable 818.5502 818.5502 ~ 818.5502
MzDiff: none
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000029774)
Formula: C50H80NO8P (853.5621)
1.83 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029501 Unreliable 818.5581 818.5581 ~ 818.5581
MzDiff: none
PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)
0.65 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030200 Unreliable 818.5664 818.5664 ~ 818.5664
MzDiff: none
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276)
Formula: C47H80NO8P (817.5621)
2.11 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030852 Unreliable 818.5581 818.5581 ~ 818.5581
MzDiff: none
PE(18:0/PGF2alpha) (BioDeep_00000186116)
Formula: C43H80NO11P (817.5469)
0.8 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000055901 Unavailable 818.5492 818.5492 ~ 818.5492
MzDiff: none
PA(20:0/6 keto-PGF1alpha) (BioDeep_00000189640)
Formula: C43H79O12P (818.5309)
-0.32 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 10 Sample Hits
Metabolite Species Sample
PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 8.1)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M+H]+ (Ppm: 9.4)
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.

PE(18:0/PGF2alpha)

Formula: C43H80NO11P (817.5469)
Adducts: [M+H]+ (Ppm: 4.8)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M+H]+ (Ppm: 6.1)
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.

m/z_818.5586

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_818.5582

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_818.557

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_818.5603

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

Description

PA(20:0/6 keto-PGF1alpha)

Formula: C43H79O12P (818.5309)
Adducts: [M-H2O+NH4]+ (Ppm: 6)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

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

Formula: C46H78NO10P (835.5363)
Adducts: [M+H-H2O]+ (Ppm: 18.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description