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 11 Reference Ions Near m/z 361.1972
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046289 Reliable 361.1892 361.1892 ~ 361.1892
MzDiff: none
Cortisone (BioDeep_00000001526)
Formula: C21H28O5 (360.1937)
5.32 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000065161 Reliable 361.1916 361.1914 ~ 361.1918
MzDiff: 1.9 ppm
Pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene (BioDeep_00000173782)
Formula: C28H24 (360.1878)
5.41 (71%) Homo sapiens
[UBERON:0001155] colon
MSI_000052263 Unreliable 361.1898 361.1898 ~ 361.1898
MzDiff: none
Pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene (BioDeep_00000173782)
Formula: C28H24 (360.1878)
2.23 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052420 Unreliable 361.1972 361.1972 ~ 361.1972
MzDiff: none
Cortisone (BioDeep_00000001526)
Formula: C21H28O5 (360.1937)
2.04 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000001380 Unavailable 361.2066 361.2066 ~ 361.2066
MzDiff: none
Clemastine (BioDeep_00000002141)
Formula: C21H26ClNO (343.1703)
-0.64 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001423 Unavailable 361.1888 361.1888 ~ 361.1888
MzDiff: none
Flobetair (BioDeep_00000179085)
Formula: C20H25FN2O3 (360.1849)
-0.7 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001837 Unavailable 361.2066 361.2066 ~ 361.2066
MzDiff: none
Clemastine (BioDeep_00000002141)
Formula: C21H26ClNO (343.1703)
-0.64 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000001879 Unavailable 361.1888 361.1888 ~ 361.1888
MzDiff: none
Flobetair (BioDeep_00000179085)
Formula: C20H25FN2O3 (360.1849)
-0.71 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002326 Unavailable 361.2066 361.2066 ~ 361.2066
MzDiff: none
Clemastine (BioDeep_00000002141)
Formula: C21H26ClNO (343.1703)
-0.68 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000002349 Unavailable 361.1888 361.1888 ~ 361.1888
MzDiff: none
Flobetair (BioDeep_00000179085)
Formula: C20H25FN2O3 (360.1849)
-0.71 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000057714 Unreliable 361.1877 361.1877 ~ 361.1877
MzDiff: none
Pregnenolone sulfate (BioDeep_00000019615)
Formula: C21H32O5S (396.197)
0.63 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 8 Sample Hits
Metabolite Species Sample
Flobetair

Formula: C20H25FN2O3 (360.1849)
Adducts: [M+H]+ (Ppm: 9.4)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

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

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H]+ (Ppm: 6.8)
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.

Pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene

Formula: C28H24 (360.1878)
Adducts: [M+H]+ (Ppm: 6.6)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H]+ (Ppm: 14.5)
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).

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H]+ (Ppm: 10.4)
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).

Pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene

Formula: C28H24 (360.1878)
Adducts: [M+H]+ (Ppm: 17.9)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H]+ (Ppm: 10.9)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene

Formula: C28H24 (360.1878)
Adducts: [M+H]+ (Ppm: 9)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description