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 8 Reference Ions Near m/z 422.3174
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000057755 Reliable 422.3152 422.3151 ~ 422.3154
MzDiff: 1.1 ppm
Nevanimibe (BioDeep_00000181651)
Formula: C27H39N3O (421.3093)
3.54 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000065160 Reliable 422.3145 422.3142 ~ 422.3147
MzDiff: 2.0 ppm
Nevanimibe (BioDeep_00000181651)
Formula: C27H39N3O (421.3093)
5.41 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065879 Reliable 422.3146 422.3143 ~ 422.3148
MzDiff: 2.2 ppm
Nevanimibe (BioDeep_00000181651)
Formula: C27H39N3O (421.3093)
1.37 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000047161 Unreliable 422.3183 422.3183 ~ 422.3183
MzDiff: none
Palmitoylcarnitine (BioDeep_00000641215)
Formula: C23H45NO4 (399.3348)
2.67 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047687 Unreliable 422.326 422.326 ~ 422.326
MzDiff: none
Tandospirone (BioDeep_00000184134)
Formula: C21H29N5O2 (383.2321)
2.17 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000056760 Unreliable 422.3135 422.3134 ~ 422.3136
MzDiff: 1.0 ppm
Nevanimibe (BioDeep_00000181651)
Formula: C27H39N3O (421.3093)
2.68 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000049975 Unreliable 422.3127 422.3127 ~ 422.3127
MzDiff: none
Nevanimibe (BioDeep_00000181651)
Formula: C27H39N3O (421.3093)
1.29 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050834 Unreliable 422.3127 422.3127 ~ 422.3127
MzDiff: none
Nevanimibe (BioDeep_00000181651)
Formula: C27H39N3O (421.3093)
0.84 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 15 Sample Hits
Metabolite Species Sample
Nevanimibe

Formula: C27H39N3O (421.3093)
Adducts: [M+H]+ (Ppm: 5.6)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

N6-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine

Formula: C24H35N7 (421.2954)
Adducts: [M+H]+ (Ppm: 20)
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.

Palmitoylcarnitine

Formula: C23H45NO4 (399.3348)
Adducts: [M+Na]+ (Ppm: 0.3)
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.

Palmitoylcarnitine

Formula: C23H45NO4 (399.3348)
Adducts: [M+Na]+ (Ppm: 13.6)
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).

Nevanimibe

Formula: C27H39N3O (421.3093)
Adducts: [M+H]+ (Ppm: 8)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

Nevanimibe

Formula: C27H39N3O (421.3093)
Adducts: [M+H]+ (Ppm: 9.2)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

Nevanimibe

Formula: C27H39N3O (421.3093)
Adducts: [M+H]+ (Ppm: 9.6)
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).

Palmitoylcarnitine

Formula: C23H45NO4 (399.3348)
Adducts: [M+Na]+ (Ppm: 6.8)
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).

Palmitoylcarnitine

Formula: C23H45NO4 (399.3348)
Adducts: [M+Na]+ (Ppm: 16.5)
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).

Palmitoylcarnitine

Formula: C23H45NO4 (399.3348)
Adducts: [M+Na]+ (Ppm: 15.8)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Nevanimibe

Formula: C27H39N3O (421.3093)
Adducts: [M+H]+ (Ppm: 3.3)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Nevanimibe

Formula: C27H39N3O (421.3093)
Adducts: [M+H]+ (Ppm: 4.2)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

Nevanimibe

Formula: C27H39N3O (421.3093)
Adducts: [M+H]+ (Ppm: 4.2)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

Nevanimibe

Formula: C27H39N3O (421.3093)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

Nevanimibe

Formula: C27H39N3O (421.3093)
Adducts: [M+H]+ (Ppm: 5.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description