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 313.0947
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046666 Reliable 313.0966 313.0966 ~ 313.0966
MzDiff: none
Flubendazole (BioDeep_00000179099)
Formula: C16H12FN3O3 (313.0863)
3.74 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000054423 Reliable 313.0856 313.0854 ~ 313.0859
MzDiff: 2.3 ppm
(4s,5s)-5-[(3s,4r)-4-chloro-3-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one (BioDeep_00002129153)
Formula: C15H17ClO5 (312.0764)
2.48 (88%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000033165 Unreliable 313.1008 313.1006 ~ 313.1009
MzDiff: 0.9 ppm
Camptothecin (BioDeep_00000000207)
Formula: C20H16N2O4 (348.111)
1.19 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000001070 Unavailable 313.0932 313.0932 ~ 313.0932
MzDiff: none
Quinacridone (BioDeep_00000034622)
Formula: C20H12N2O2 (312.0899)
-0.37 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001533 Unavailable 313.0932 313.0932 ~ 313.0932
MzDiff: none
Quinacridone (BioDeep_00000034622)
Formula: C20H12N2O2 (312.0899)
-0.37 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002002 Unavailable 313.0932 313.0932 ~ 313.0932
MzDiff: none
Quinacridone (BioDeep_00000034622)
Formula: C20H12N2O2 (312.0899)
-0.37 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000032998 Unavailable 313.1006 313.1006 ~ 313.1006
MzDiff: none
Camptothecin (BioDeep_00000000207)
Formula: C20H16N2O4 (348.111)
-0.14 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033153 Unreliable 313.0854 313.0854 ~ 313.0854
MzDiff: none
(4s,5s)-5-[(3s,4r)-4-chloro-3-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one (BioDeep_00002129153)
Formula: C15H17ClO5 (312.0764)
2.27 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035721 Unavailable 313.0854 313.0854 ~ 313.0854
MzDiff: none
(4s,5s)-5-[(3s,4r)-4-chloro-3-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one (BioDeep_00002129153)
Formula: C15H17ClO5 (312.0764)
-0.31 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037273 Unreliable 313.1009 313.1009 ~ 313.1009
MzDiff: none
5,6,7-Trimethoxyflavone (BioDeep_00000007759)
Formula: C18H16O5 (312.0998)
1.96 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000039661 Unreliable 313.0917 313.0917 ~ 313.0917
MzDiff: none
Vanilloyl glucose (BioDeep_00000004044)
Formula: C14H18O9 (330.0951)
2.08 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000040612 Unavailable 313.0858 313.0858 ~ 313.0858
MzDiff: none
(4s,5s)-5-[(3s,4r)-4-chloro-3-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one (BioDeep_00002129153)
Formula: C15H17ClO5 (312.0764)
-0.27 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 4 Sample Hits
Metabolite Species Sample
Quinacridone

Formula: C20H12N2O2 (312.0899)
Adducts: [M+H]+ (Ppm: 12.6)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

AP-MALDI instrument demo test, mass spectrum scan in centroid mode.

Quinacridone

Formula: C20H12N2O2 (312.0899)
Adducts: [M+H]+ (Ppm: 7.8)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

Vanilloyl glucose

Formula: C14H18O9 (330.0951)
Adducts: [M+H-H2O]+ (Ppm: 0.3)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Flubendazole

Formula: C16H12FN3O3 (313.0863)
Adducts: [M-H2O+NH4]+ (Ppm: 14.8)
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.