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 6 Reference Ions Near m/z 341.2185
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000052759 Reliable 341.2233 341.223 ~ 341.2238
MzDiff: 3.1 ppm
Propafenone (BioDeep_00000002059)
Formula: C21H27NO3 (341.1991)
11.65 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000053257 Reliable 341.2136 341.2131 ~ 341.214
MzDiff: 3.6 ppm
Piperochromenoic acid (BioDeep_00000024921)
Formula: C22H28O3 (340.2038)
5.32 (33%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000058193 Reliable 341.2126 341.2124 ~ 341.2127
MzDiff: 1.4 ppm
Perindoprilat (BioDeep_00000014088)
Formula: C17H28N2O5 (340.1998)
3.82 (71%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000052830 Reliable 341.2203 341.2203 ~ 341.2203
MzDiff: 0.2 ppm
Propafenone (BioDeep_00000002059)
Formula: C21H27NO3 (341.1991)
3.82 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000053317 Unreliable 341.228 341.228 ~ 341.228
MzDiff: none
2-alpha-Ethoxydihydrophytuberin (BioDeep_00000227790)
Formula: C19H32O5 (340.225)
2.68 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000055769 Unreliable 341.2236 341.2236 ~ 341.2236
MzDiff: none
Propafenone (BioDeep_00000002059)
Formula: C21H27NO3 (341.1991)
0.28 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 19 Sample Hits
Metabolite Species Sample
Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 6)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 1.9)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 0.5)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

Perindoprilat

Formula: C17H28N2O5 (340.1998)
Adducts: [M+H]+ (Ppm: 4.7)
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.

Piperochromenoic acid

Formula: C22H28O3 (340.2038)
Adducts: [M+H]+ (Ppm: 4.4)
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).

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 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).

Piperochromenoic acid

Formula: C22H28O3 (340.2038)
Adducts: [M+H]+ (Ppm: 19.3)
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).

(R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan

Formula: C17H18O5 (302.1154)
Adducts: [M+K]+ (Ppm: 15.6)
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).

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 6.9)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 1.9)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 1.6)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 2.5)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 1)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 0.5)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 1.6)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Propafenone

Formula: C21H27NO3 (341.1991)
Adducts: [M-H2O+NH4]+ (Ppm: 0.5)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description