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 10 Reference Ions Near m/z 822.5824
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000047594 Unreliable 822.5792 822.5792 ~ 822.5792
MzDiff: none
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
2.22 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047729 Unreliable 822.5869 822.5869 ~ 822.5869
MzDiff: none
PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) (BioDeep_00000030423)
Formula: C47H84NO8P (821.5934)
2.15 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052405 Unreliable 822.5775 822.5775 ~ 822.5775
MzDiff: none
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210967)
Formula: C46H80NO9P (821.557)
2.07 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052415 Unreliable 822.5853 822.5853 ~ 822.5853
MzDiff: none
Not Annotated 2.05 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052448 Unreliable 822.5915 822.5915 ~ 822.5915
MzDiff: none
Not Annotated 2 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065546 Unreliable 822.5784 822.5783 ~ 822.5785
MzDiff: 0.8 ppm
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210967)
Formula: C46H80NO9P (821.557)
2.63 (67%) Homo sapiens
[UBERON:0001155] colon
MSI_000043732 Unreliable 822.5822 822.5822 ~ 822.5822
MzDiff: none
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
1.34 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056724 Unreliable 822.5754 822.5751 ~ 822.5757
MzDiff: 2.3 ppm
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
2.94 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043580 Unreliable 822.5811 822.5811 ~ 822.5811
MzDiff: none
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
1.43 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056007 Unavailable 822.5751 822.5751 ~ 822.5751
MzDiff: none
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210967)
Formula: C46H80NO9P (821.557)
-0.48 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 18 Sample Hits
Metabolite Species Sample
PG(i-19:0/18:1(12Z)-2OH(9,10))

Formula: C43H83O12P (822.5622)
Adducts: [M-H2O+NH4]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 12.3)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 10.9)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 10.4)
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.

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 14.6)
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).

PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))

Formula: C47H84NO8P (821.5934)
Adducts: [M+H]+ (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).

m/z_822.5853

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 13)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C50H84NO8P (857.5934)
Adducts: [M+H-2H2O]+ (Ppm: 1.4)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 17)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 12.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 10.7)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 13.7)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 11.7)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 16)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 15.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 18.1)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 18)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description