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 14 Reference Ions Near m/z 279.0333
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053656 Reliable 279.0262 279.0261 ~ 279.0265
MzDiff: 1.8 ppm
Wedelolactone (BioDeep_00000229934)
Formula: C16H10O7 (314.0427)
6.17 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000017676 Reliable 279.0264 279.0264 ~ 279.0264
MzDiff: 0.0 ppm
Wedelolactone (BioDeep_00000229934)
Formula: C16H10O7 (314.0427)
1.72 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000065133 Reliable 279.0389 279.0387 ~ 279.039
MzDiff: 1.0 ppm
Alcophosphamide (BioDeep_00000011259)
Formula: C7H17Cl2N2O3P (278.0354)
5.92 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000032180 Unreliable 279.0418 279.0414 ~ 279.042
MzDiff: 2.3 ppm
Enilconazole (BioDeep_00000000746)
Formula: C14H14Cl2N2O (296.0483)
3.38 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000051683 Unreliable 279.0396 279.0396 ~ 279.0396
MzDiff: none
Alcophosphamide (BioDeep_00000011259)
Formula: C7H17Cl2N2O3P (278.0354)
2.64 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000057643 Unreliable 279.0386 279.038 ~ 279.039
MzDiff: 4.0 ppm
Alcophosphamide (BioDeep_00000011259)
Formula: C7H17Cl2N2O3P (278.0354)
0.9 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000016803 Unavailable 279.0264 279.0264 ~ 279.0264
MzDiff: 0.0 ppm
Wedelolactone (BioDeep_00000229934)
Formula: C16H10O7 (314.0427)
-0.03 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000012884 Unavailable 279.0265 279.0265 ~ 279.0265
MzDiff: none
Fenthion (BioDeep_00000002429)
Formula: C10H15O3PS2 (278.02)
-0.51 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014027 Unavailable 279.0265 279.0265 ~ 279.0265
MzDiff: none
Fenthion (BioDeep_00000002429)
Formula: C10H15O3PS2 (278.02)
-0.24 (100%) Plant
[PO:0005417] phloem
MSI_000014997 Unavailable 279.0265 279.0265 ~ 279.0265
MzDiff: none
Fenthion (BioDeep_00000002429)
Formula: C10H15O3PS2 (278.02)
-0.52 (100%) Plant
[PO:0006036] root epidermis
MSI_000018397 Unreliable 279.0265 279.0265 ~ 279.0265
MzDiff: none
Fenthion (BioDeep_00000002429)
Formula: C10H15O3PS2 (278.02)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000020031 Unavailable 279.0265 279.0265 ~ 279.0265
MzDiff: none
Fenthion (BioDeep_00000002429)
Formula: C10H15O3PS2 (278.02)
-0.51 (100%) Plant
[PO:0025197] stele
MSI_000033955 Unreliable 279.0261 279.0261 ~ 279.0261
MzDiff: none
Wedelolactone (BioDeep_00000229934)
Formula: C16H10O7 (314.0427)
0.18 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000037742 Unreliable 279.0262 279.0262 ~ 279.0262
MzDiff: none
Wedelolactone (BioDeep_00000229934)
Formula: C16H10O7 (314.0427)
0.25 (100%) Posidonia oceanica
[UBERON:0000329] hair root

Found 5 Sample Hits
Metabolite Species Sample
Disulfiram

Formula: C10H20N2S4 (296.0509)
Adducts: [M+H-H2O]+ (Ppm: 1.3)
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.

Clorazepate

Formula: C16H11ClN2O3 (314.0458)
Adducts: [M+H-2H2O]+ (Ppm: 4.8)
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).

Alcophosphamide

Formula: C7H17Cl2N2O3P (278.0354)
Adducts: [M+H]+ (Ppm: 13.1)
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).

Clorazepate

Formula: C16H11ClN2O3 (314.0458)
Adducts: [M+H-2H2O]+ (Ppm: 5.9)
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).

Clorazepate

Formula: C16H11ClN2O3 (314.0458)
Adducts: [M+H-2H2O]+ (Ppm: 3.7)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description