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 813.5436
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043226 Reliable 813.5486 813.5482 ~ 813.5489
MzDiff: 2.8 ppm
PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000190582)
Formula: C45H81O10P (812.5567)
14.34 (55%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057829 Reliable 813.5504 813.5501 ~ 813.551
MzDiff: 3.8 ppm
PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000190582)
Formula: C45H81O10P (812.5567)
8.59 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065103 Reliable 813.5486 813.5481 ~ 813.5489
MzDiff: 3.1 ppm
PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000190582)
Formula: C45H81O10P (812.5567)
6.5 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043612 Unreliable 813.5506 813.5503 ~ 813.551
MzDiff: 3.0 ppm
PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000190582)
Formula: C45H81O10P (812.5567)
4.05 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046941 Unreliable 813.5512 813.5512 ~ 813.5512
MzDiff: none
PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000190582)
Formula: C45H81O10P (812.5567)
3.11 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000046945 Unreliable 813.5436 813.5436 ~ 813.5436
MzDiff: none
PA(21:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000190513)
Formula: C44H77O11P (812.5203)
3.11 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000046997 Unreliable 813.5357 813.5357 ~ 813.5357
MzDiff: none
PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030583)
Formula: C47H76NO8P (813.5308)
3.04 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051896 Unreliable 813.5404 813.5404 ~ 813.5404
MzDiff: none
PA(21:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000190513)
Formula: C44H77O11P (812.5203)
2.39 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052071 Unreliable 813.5501 813.5501 ~ 813.5501
MzDiff: none
PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000190582)
Formula: C45H81O10P (812.5567)
2.33 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052083 Unreliable 813.5345 813.5345 ~ 813.5345
MzDiff: none
Not Annotated 2.33 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000004507 Unreliable 813.5447 813.5447 ~ 813.5447
MzDiff: none
PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030583)
Formula: C47H76NO8P (813.5308)
0.5 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000056159 Unavailable 813.551 813.551 ~ 813.551
MzDiff: none
PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000190582)
Formula: C45H81O10P (812.5567)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 16 Sample Hits
Metabolite Species Sample
PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 11.5)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 9.6)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C45H81O10P (812.5567)
Adducts: [M+H]+ (Ppm: 18.8)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C45H81O10P (812.5567)
Adducts: [M+H]+ (Ppm: 15.6)
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(18:0/20:3(8Z,11Z,14Z))

Formula: C44H80NO10P (813.552)
Adducts: [M]+ (Ppm: 3.3)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PA(21:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C44H77O11P (812.5203)
Adducts: [M+H]+ (Ppm: 19.7)
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(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H76NO8P (813.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 8.7)
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).

PA(21:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C44H77O11P (812.5203)
Adducts: [M+H]+ (Ppm: 15.7)
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).

PE(DiMe(11,3)/DiMe(9,3))

Formula: C43H74NO10P (795.505)
Adducts: [M+NH4]+ (Ppm: 7.8)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C45H81O10P (812.5567)
Adducts: [M+H]+ (Ppm: 16)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PS(18:0/20:3(8Z,11Z,14Z))

Formula: C44H80NO10P (813.552)
Adducts: [M]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

PS(18:0/20:3(8Z,11Z,14Z))

Formula: C44H80NO10P (813.552)
Adducts: [M]+ (Ppm: 3.3)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C45H81O10P (812.5567)
Adducts: [M+H]+ (Ppm: 18.9)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PE(DiMe(11,3)/DiMe(9,3))

Formula: C43H74NO10P (795.505)
Adducts: [M+NH4]+ (Ppm: 5.4)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C45H81O10P (812.5567)
Adducts: [M+H]+ (Ppm: 19.3)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C45H81O10P (812.5567)
Adducts: [M+H]+ (Ppm: 19.5)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description