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 8 Reference Ions Near m/z 804.5883
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000057849 Unreliable 804.5923 804.5921 ~ 804.5926
MzDiff: 2.0 ppm
PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107622)
Formula: C47H81O8P (804.5669)
3.22 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065553 Unreliable 804.5914 804.5913 ~ 804.5916
MzDiff: 1.1 ppm
PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107622)
Formula: C47H81O8P (804.5669)
2.76 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000047620 Unreliable 804.5936 804.5936 ~ 804.5936
MzDiff: none
PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107622)
Formula: C47H81O8P (804.5669)
2.21 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047781 Unreliable 804.5861 804.5861 ~ 804.5861
MzDiff: none
PS(15:0/22:1(13Z)) (BioDeep_00000104697)
Formula: C43H82NO10P (803.5676)
2.12 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052414 Unreliable 804.5804 804.5804 ~ 804.5804
MzDiff: none
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
2.05 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052547 Unreliable 804.5941 804.5941 ~ 804.5941
MzDiff: none
PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107622)
Formula: C47H81O8P (804.5669)
1.71 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065605 Unreliable 804.5904 804.59 ~ 804.5906
MzDiff: 2.6 ppm
PS(15:0/22:1(13Z)) (BioDeep_00000104697)
Formula: C43H82NO10P (803.5676)
2.52 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043902 Unreliable 804.5938 804.5938 ~ 804.5938
MzDiff: none
PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107622)
Formula: C47H81O8P (804.5669)
1.2 (100%) Homo sapiens
[UBERON:0001043] esophagus

Found 18 Sample Hits
Metabolite Species Sample
PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+H]+ (Ppm: 10.3)
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.

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+H]+ (Ppm: 13.9)
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).

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+H]+ (Ppm: 16.7)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 0.7)
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).

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

Formula: C47H84NO8P (821.5934)
Adducts: [M+H-H2O]+ (Ppm: 1.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 3.1)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 1.7)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 3.4)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 1.7)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 2.4)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+H]+ (Ppm: 18.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 1.8)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+H]+ (Ppm: 19.5)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H81O8P (804.5669)
Adducts: [M-H2O+NH4]+ (Ppm: 1.4)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description