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 15 Reference Ions Near m/z 814.5493
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055599 Reliable 814.5496 814.5493 ~ 814.55
MzDiff: 3.0 ppm
PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030583)
Formula: C47H76NO8P (813.5308)
6.65 (56%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000051880 Unreliable 814.5475 814.5475 ~ 814.5475
MzDiff: none
Not Annotated 2.4 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052081 Unreliable 814.5556 814.5556 ~ 814.5556
MzDiff: none
PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000104853)
Formula: C42H66NO10P (775.4424)
2.33 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065724 Unreliable 814.5498 814.5497 ~ 814.5499
MzDiff: 0.8 ppm
PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030583)
Formula: C47H76NO8P (813.5308)
1.63 (67%) Homo sapiens
[UBERON:0001155] colon
MSI_000056681 Unreliable 814.5476 814.5473 ~ 814.5478
MzDiff: 2.3 ppm
PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030583)
Formula: C47H76NO8P (813.5308)
3.73 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000004347 Unreliable 814.5573 814.5573 ~ 814.5573
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)) (BioDeep_00000032603)
Formula: C44H80NO10P (813.552)
0.74 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000028404 Unreliable 814.5406 814.5406 ~ 814.5406
MzDiff: none
PS(18:0/18:0) (BioDeep_00000017592)
Formula: C42H82NO10P (791.5676)
1.2 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028647 Unreliable 814.5496 814.5496 ~ 814.5496
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)) (BioDeep_00000032603)
Formula: C44H80NO10P (813.552)
0.67 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030723 Unreliable 814.5496 814.5496 ~ 814.5496
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)) (BioDeep_00000032603)
Formula: C44H80NO10P (813.552)
1.15 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031324 Unreliable 814.5406 814.5406 ~ 814.5406
MzDiff: none
PS(18:0/18:0) (BioDeep_00000017592)
Formula: C42H82NO10P (791.5676)
1.28 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031712 Unavailable 814.5496 814.5496 ~ 814.5496
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)) (BioDeep_00000032603)
Formula: C44H80NO10P (813.552)
-0.01 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000056198 Unavailable 814.5511 814.5511 ~ 814.5511
MzDiff: none
SM(d18:2(4E,14Z)/6 keto-PGF1alpha) (BioDeep_00000215565)
Formula: C43H79N2O10P (814.5472)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000061555 Unavailable 814.5475 814.5475 ~ 814.5475
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)) (BioDeep_00000032603)
Formula: C44H80NO10P (813.552)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062413 Unavailable 814.5475 814.5475 ~ 814.5475
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)) (BioDeep_00000032603)
Formula: C44H80NO10P (813.552)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062842 Unavailable 814.5475 814.5475 ~ 814.5475
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)) (BioDeep_00000032603)
Formula: C44H80NO10P (813.552)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 21 Sample Hits
Metabolite Species Sample
PS(18:0/20:3(8Z,11Z,14Z))

Formula: C44H80NO10P (813.552)
Adducts: [M+H]+ (Ppm: 11.8)
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

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 11.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PS(18:0/20:3(8Z,11Z,14Z))

Formula: C44H80NO10P (813.552)
Adducts: [M+H]+ (Ppm: 4.3)
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.

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 17.2)
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).

m/z_814.5475

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).

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 9.8)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+Na]+ (Ppm: 14.9)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 14.2)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M]+ (Ppm: 5.5)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 13.9)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 15.6)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 13)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 14.6)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M]+ (Ppm: 4.1)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 14.5)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 12.6)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+Na]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

m/z_814.5499

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M+H]+ (Ppm: 14.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description