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 803.5685
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000061917 Reliable 803.5677 803.5675 ~ 803.5678
MzDiff: 1.1 ppm
PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019218)
Formula: C46H78NO8P (803.5465)
3.28 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000058168 Reliable 803.5664 803.5661 ~ 803.5669
MzDiff: 3.6 ppm
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649)
Formula: C47H79O8P (802.5512)
5.54 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000045931 Reliable 803.5782 803.5782 ~ 803.5782
MzDiff: none
PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019218)
Formula: C46H78NO8P (803.5465)
7.83 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000047642 Unreliable 803.5628 803.5628 ~ 803.5628
MzDiff: none
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649)
Formula: C47H79O8P (802.5512)
2.2 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047722 Unreliable 803.5724 803.5724 ~ 803.5724
MzDiff: none
Not Annotated 2.15 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052328 Unreliable 803.5619 803.5619 ~ 803.5619
MzDiff: none
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649)
Formula: C47H79O8P (802.5512)
2.19 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052633 Unreliable 803.5771 803.5771 ~ 803.5771
MzDiff: none
SM(d18:0/PGF2alpha) (BioDeep_00000215462)
Formula: C43H83N2O9P (802.5836)
0.99 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000058668 Unreliable 803.5676 803.5674 ~ 803.5678
MzDiff: 1.7 ppm
PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019218)
Formula: C46H78NO8P (803.5465)
0.63 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000065349 Unreliable 803.5661 803.566 ~ 803.5662
MzDiff: 0.8 ppm
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649)
Formula: C47H79O8P (802.5512)
1.86 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065517 Unreliable 803.5776 803.5774 ~ 803.578
MzDiff: 2.6 ppm
PE(18:0/20:3(6,8,11)-OH(5)) (BioDeep_00000186184)
Formula: C43H80NO9P (785.557)
2.68 (67%) Homo sapiens
[UBERON:0001155] colon
MSI_000028376 Unreliable 803.5616 803.5616 ~ 803.5616
MzDiff: none
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649)
Formula: C47H79O8P (802.5512)
1.26 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030992 Unreliable 803.5616 803.5616 ~ 803.5616
MzDiff: none
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649)
Formula: C47H79O8P (802.5512)
0.34 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000043978 Unreliable 803.5663 803.5663 ~ 803.5663
MzDiff: none
PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019218)
Formula: C46H78NO8P (803.5465)
2.14 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000060043 Unavailable 803.5674 803.5674 ~ 803.5674
MzDiff: none
PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019218)
Formula: C46H78NO8P (803.5465)
-0.85 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060526 Unavailable 803.5674 803.5674 ~ 803.5674
MzDiff: none
PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019218)
Formula: C46H78NO8P (803.5465)
-0.26 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 22 Sample Hits
Metabolite Species Sample
PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M]+ (Ppm: 0.7)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO8P (803.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 13.1)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO8P (803.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 10.5)
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.

m/z_803.5724

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).

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 9.2)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 9.6)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 10.4)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 12.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 9.5)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 9)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M]+ (Ppm: 0.6)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 9.5)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO8P (803.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 5.1)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO8P (803.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 2.4)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO8P (803.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 2.5)
Mus musculus (brain)
Brain02_Bregma1-42_03
Resolution: 17μm, 483x403

Description

PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO8P (803.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 2.5)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO8P (803.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 2.5)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 9.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 9.2)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 8.3)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H79O8P (802.5512)
Adducts: [M+H]+ (Ppm: 9.3)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description