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 19 Reference Ions Near m/z 816.5356
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043382 Reliable 816.5313 816.531 ~ 816.5317
MzDiff: 2.8 ppm
PE(18:0/PGE2) (BioDeep_00000186110)
Formula: C43H78NO11P (815.5312)
7.78 (62%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043795 Reliable 816.5326 816.5324 ~ 816.533
MzDiff: 2.4 ppm
PE(18:0/PGE2) (BioDeep_00000186110)
Formula: C43H78NO11P (815.5312)
8.92 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000045937 Reliable 816.5408 816.5408 ~ 816.5408
MzDiff: none
PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030517)
Formula: C47H78NO8P (815.5465)
7.77 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000047059 Unreliable 816.5322 816.5322 ~ 816.5322
MzDiff: none
PE(18:0/PGE2) (BioDeep_00000186110)
Formula: C43H78NO11P (815.5312)
2.91 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047089 Unreliable 816.5402 816.5402 ~ 816.5402
MzDiff: none
PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018544)
Formula: C45H80NO8P (793.5621)
2.83 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051938 Unreliable 816.5291 816.5291 ~ 816.5291
MzDiff: none
PE(18:0/PGE2) (BioDeep_00000186110)
Formula: C43H78NO11P (815.5312)
2.38 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052099 Unreliable 816.5388 816.5388 ~ 816.5388
MzDiff: none
PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018544)
Formula: C45H80NO8P (793.5621)
2.32 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065220 Unreliable 816.531 816.531 ~ 816.531
MzDiff: none
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000029998)
Formula: C50H78NO8P (851.5465)
1.73 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000002766 Unavailable 816.5312 816.5312 ~ 816.5312
MzDiff: none
PC(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000211872)
Formula: C46H74NO9P (815.5101)
-0.42 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003558 Unavailable 816.5312 816.5312 ~ 816.5312
MzDiff: none
PC(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000211872)
Formula: C46H74NO9P (815.5101)
-0.6 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004770 Unreliable 816.5312 816.5312 ~ 816.5312
MzDiff: none
PC(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000211872)
Formula: C46H74NO9P (815.5101)
2.15 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005725 Unavailable 816.5312 816.5312 ~ 816.5312
MzDiff: none
PC(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000211872)
Formula: C46H74NO9P (815.5101)
-0.53 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000028425 Unreliable 816.5299 816.5299 ~ 816.5299
MzDiff: none
PC(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000211872)
Formula: C46H74NO9P (815.5101)
1.17 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028974 Unreliable 816.5387 816.5387 ~ 816.5387
MzDiff: none
PE(18:0/PGE2) (BioDeep_00000186110)
Formula: C43H78NO11P (815.5312)
0.1 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029235 Unreliable 816.5387 816.5387 ~ 816.5387
MzDiff: none
PE(18:0/PGE2) (BioDeep_00000186110)
Formula: C43H78NO11P (815.5312)
1.53 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000044604 Unavailable 816.5287 816.5287 ~ 816.5287
MzDiff: none
PE(18:0/PGE2) (BioDeep_00000186110)
Formula: C43H78NO11P (815.5312)
-0.39 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000044705 Unavailable 816.5426 816.5426 ~ 816.5426
MzDiff: none
PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030517)
Formula: C47H78NO8P (815.5465)
-0.43 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000056041 Unavailable 816.5328 816.5328 ~ 816.5328
MzDiff: none
PE(18:0/PGE2) (BioDeep_00000186110)
Formula: C43H78NO11P (815.5312)
-0.51 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056341 Unavailable 816.5273 816.5273 ~ 816.5273
MzDiff: none
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656)
Formula: C44H76NO9P (793.5257)
-0.68 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 23 Sample Hits
Metabolite Species Sample
PC(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C46H74NO9P (815.5101)
Adducts: [M+H]+ (Ppm: 16.9)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 0.2)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 9.1)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C50H78NO8P (851.5465)
Adducts: [M+H-2H2O]+ (Ppm: 4.1)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C50H78NO8P (851.5465)
Adducts: [M+H-2H2O]+ (Ppm: 1.7)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 6.5)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

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

Formula: C47H78NO8P (815.5465)
Adducts: [M+H]+ (Ppm: 15.9)
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.

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 7.7)
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(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 3.5)
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).

PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C45H80NO8P (793.5621)
Adducts: [M+Na]+ (Ppm: 15.4)
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).

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 5.6)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 7.2)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 7)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 7.2)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 7.2)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C50H78NO8P (851.5465)
Adducts: [M+H-2H2O]+ (Ppm: 1.1)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 6.7)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 9.3)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 7.5)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C50H78NO8P (851.5465)
Adducts: [M+H-2H2O]+ (Ppm: 1.1)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 8.9)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C50H78NO8P (851.5465)
Adducts: [M+H-2H2O]+ (Ppm: 1)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PE(18:0/PGE2)

Formula: C43H78NO11P (815.5312)
Adducts: [M+H]+ (Ppm: 8.4)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description