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 12 Reference Ions Near m/z 822.6187
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000057983 Reliable 822.6196 822.6193 ~ 822.6198
MzDiff: 2.1 ppm
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
4.05 (79%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000046727 Reliable 822.6202 822.6202 ~ 822.6202
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
3.61 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000060781 Unreliable 822.6222 822.6221 ~ 822.6223
MzDiff: 0.8 ppm
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
4.31 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000061773 Unavailable 822.6238 822.6238 ~ 822.6238
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
-0.88 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000002776 Unavailable 822.6226 822.6226 ~ 822.6226
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
-0.42 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003431 Unavailable 822.6226 822.6226 ~ 822.6226
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
-0.43 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004728 Unreliable 822.6226 822.6226 ~ 822.6226
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
2.43 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005661 Unavailable 822.6226 822.6226 ~ 822.6226
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
-0.41 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000059075 Unavailable 822.6219 822.6219 ~ 822.6219
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
-0.67 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059462 Unreliable 822.6219 822.6219 ~ 822.6219
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
1.15 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000062499 Unavailable 822.6241 822.6241 ~ 822.6241
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
-0.39 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062567 Unreliable 822.6238 822.6238 ~ 822.6238
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
2.04 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 9 Sample Hits
Metabolite Species Sample
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H81N2O7P (804.5781)
Adducts: [M+NH4]+ (Ppm: 13)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

SM(d18:0/PGF1alpha)

Formula: C43H85N2O9P (804.5992)
Adducts: [M+NH4]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H81N2O7P (804.5781)
Adducts: [M+NH4]+ (Ppm: 9)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

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

Formula: C48H88NO7P (821.6298)
Adducts: [M+H]+ (Ppm: 19.7)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H81N2O7P (804.5781)
Adducts: [M+NH4]+ (Ppm: 10)
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.

SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H81N2O7P (804.5781)
Adducts: [M+NH4]+ (Ppm: 2.6)
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).

SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H81N2O7P (804.5781)
Adducts: [M+NH4]+ (Ppm: 8.2)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PC(O-18:1(9Z)/20:1(11Z))

Formula: C46H90NO7P (799.6455)
Adducts: [M+Na]+ (Ppm: 18.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H81N2O7P (804.5781)
Adducts: [M+NH4]+ (Ppm: 9.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description