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 529.3192
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006586 Reliable 529.3121 529.312 ~ 529.3121
MzDiff: 0.3 ppm
3-Palmitoylcatechin (BioDeep_00000173986)
Formula: C31H44O7 (528.3087)
5.29 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000052851 Reliable 529.3175 529.3174 ~ 529.3179
MzDiff: 2.1 ppm
Tabimorelin (BioDeep_00000184105)
Formula: C32H40N4O3 (528.31)
4.06 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000020687 Reliable 529.3121 529.312 ~ 529.3121
MzDiff: 0.3 ppm
3-Palmitoylcatechin (BioDeep_00000173986)
Formula: C31H44O7 (528.3087)
6.59 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000046153 Reliable 529.3291 529.3291 ~ 529.3291
MzDiff: none
Cytochalasin Ppho (BioDeep_00000026642)
Formula: C30H41NO6 (511.2934)
5.93 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000010125 Unavailable 529.3096 529.3096 ~ 529.3096
MzDiff: 0.0 ppm
Milbemectin (BioDeep_00000002388)
Formula: C31H44O7 (528.3087)
-0.4 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000053533 Unreliable 529.3106 529.3106 ~ 529.3106
MzDiff: none
3-Palmitoylcatechin (BioDeep_00000173986)
Formula: C31H44O7 (528.3087)
2.32 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000011920 Unavailable 529.3096 529.3096 ~ 529.3096
MzDiff: 0.0 ppm
Milbemectin (BioDeep_00000002388)
Formula: C31H44O7 (528.3087)
-0.4 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000056962 Unreliable 529.3128 529.3128 ~ 529.3128
MzDiff: none
3-Palmitoylcatechin (BioDeep_00000173986)
Formula: C31H44O7 (528.3087)
1.54 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 10 Sample Hits
Metabolite Species Sample
Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 0.2)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 6.2)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Cytochalasin Ppho

Formula: C30H41NO6 (511.2934)
Adducts: [M+NH4]+ (Ppm: 3.6)
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.

(5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoylcarnitine

Formula: C30H43NO7 (529.3039)
Adducts: [M-H2O+NH4]+ (Ppm: 16.8)
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).

(5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoylcarnitine

Formula: C30H43NO7 (529.3039)
Adducts: [M-H2O+NH4]+ (Ppm: 15.1)
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).

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 0.4)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 1.7)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 1.1)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 5.5)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Tabimorelin

Formula: C32H40N4O3 (528.31)
Adducts: [M+H]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description