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 17 Reference Ions Near m/z 819.5433
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058305 Reliable 819.5515 819.5512 ~ 819.5518
MzDiff: 2.5 ppm
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
7.11 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046741 Reliable 819.5525 819.5525 ~ 819.5525
MzDiff: none
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
3.55 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000055639 Unreliable 819.5525 819.5522 ~ 819.5529
MzDiff: 2.9 ppm
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
3.83 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047241 Unreliable 819.5334 819.5334 ~ 819.5334
MzDiff: none
PS(16:0/20:3(6,8,11)-OH(5)) (BioDeep_00000206204)
Formula: C42H76NO11P (801.5156)
2.51 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047821 Unreliable 819.5414 819.5414 ~ 819.5414
MzDiff: none
Not Annotated 2.08 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047854 Unreliable 819.5485 819.5485 ~ 819.5485
MzDiff: none
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
2.05 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051845 Unreliable 819.552 819.552 ~ 819.552
MzDiff: none
PS(16:0/20:3(6,8,11)-OH(5)) (BioDeep_00000206204)
Formula: C42H76NO11P (801.5156)
2.42 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051911 Unreliable 819.5437 819.5437 ~ 819.5437
MzDiff: none
Not Annotated 2.39 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052210 Unreliable 819.5359 819.5359 ~ 819.5359
MzDiff: none
Not Annotated 2.27 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000021384 Unreliable 819.5352 819.5352 ~ 819.5352
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
1 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000043598 Unreliable 819.5529 819.5529 ~ 819.5529
MzDiff: none
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
1.41 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065326 Unreliable 819.55 819.55 ~ 819.55
MzDiff: none
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
1.18 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000002643 Unavailable 819.5496 819.5496 ~ 819.5496
MzDiff: none
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
-0.04 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003568 Unavailable 819.5496 819.5496 ~ 819.5496
MzDiff: none
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
-0.62 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004988 Unavailable 819.5496 819.5496 ~ 819.5496
MzDiff: none
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
-0.32 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005689 Unavailable 819.5496 819.5496 ~ 819.5496
MzDiff: none
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190726)
Formula: C47H79O9P (818.5461)
-0.47 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000055910 Unavailable 819.5412 819.5412 ~ 819.5412
MzDiff: none
PA(20:0/6 keto-PGF1alpha) (BioDeep_00000189640)
Formula: C43H79O12P (818.5309)
-0.33 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 12 Sample Hits
Metabolite Species Sample
PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H79O9P (818.5461)
Adducts: [M+H]+ (Ppm: 15.4)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PA(20:0/6 keto-PGF1alpha)

Formula: C43H79O12P (818.5309)
Adducts: [M+H]+ (Ppm: 6.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H79O9P (818.5461)
Adducts: [M+H]+ (Ppm: 1.1)
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.

m/z_819.5414

Formula: - (n/a)
Adducts: (Ppm: 0)
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_819.5408

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

m/z_819.5437

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).

PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H79O9P (818.5461)
Adducts: [M+H]+ (Ppm: 13.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PA(20:0/6 keto-PGF1alpha)

Formula: C43H79O12P (818.5309)
Adducts: [M+H]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

m/z_819.5455

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H79O9P (818.5461)
Adducts: [M+H]+ (Ppm: 6.5)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PI(16:0/18:1(9Z))

Formula: C43H81O13P (836.5415)
Adducts: [M+H-H2O]+ (Ppm: 6.6)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PA(22:1(13Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H79O9P (818.5461)
Adducts: [M+H]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description