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 11 Reference Ions Near m/z 774.5566
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000057831 Reliable 774.5486 774.548 ~ 774.5489
MzDiff: 3.9 ppm
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
7.47 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043512 Reliable 774.5506 774.5501 ~ 774.551
MzDiff: 3.8 ppm
PS(18:0/18:0) (BioDeep_00000017592)
Formula: C42H82NO10P (791.5676)
6.83 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046068 Reliable 774.5657 774.5657 ~ 774.5657
MzDiff: none
PC(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000027117)
Formula: C46H84NO8P (809.5934)
6.64 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000057840 Reliable 774.5475 774.5471 ~ 774.548
MzDiff: 3.7 ppm
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
6.91 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047074 Unreliable 774.5494 774.5494 ~ 774.5494
MzDiff: none
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
2.87 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047178 Unreliable 774.5566 774.5566 ~ 774.5566
MzDiff: none
PG(18:1(9Z)/18:1(9Z)) (BioDeep_00000019289)
Formula: C42H79O10P (774.5411)
2.62 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047746 Unreliable 774.5639 774.5639 ~ 774.5639
MzDiff: none
Not Annotated 2.14 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052282 Unreliable 774.549 774.549 ~ 774.549
MzDiff: none
PC(15:0/22:6) (BioDeep_00000018526)
Formula: C45H78NO8P (791.5465)
2.22 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052374 Unreliable 774.5562 774.5562 ~ 774.5562
MzDiff: none
PG(18:1(9Z)/18:1(9Z)) (BioDeep_00000019289)
Formula: C42H79O10P (774.5411)
2.13 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000044548 Unavailable 774.5643 774.5643 ~ 774.5643
MzDiff: none
PC(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000027117)
Formula: C46H84NO8P (809.5934)
-0.37 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000056268 Unavailable 774.5515 774.5515 ~ 774.5515
MzDiff: none
PC(16:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000210947)
Formula: C42H80NO9P (773.557)
-0.58 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 10 Sample Hits
Metabolite Species Sample
PG(18:1(9Z)/18:1(9Z))

Formula: C42H79O10P (774.5411)
Adducts: [M-H2O+NH4]+ (Ppm: 13.1)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C46H84NO8P (809.5934)
Adducts: [M+H-2H2O]+ (Ppm: 17.9)
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.

PG(18:1(9Z)/18:1(9Z))

Formula: C42H79O10P (774.5411)
Adducts: [M-H2O+NH4]+ (Ppm: 10)
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).

PG(18:1(9Z)/18:1(9Z))

Formula: C42H79O10P (774.5411)
Adducts: [M-H2O+NH4]+ (Ppm: 9.7)
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).

PG(18:1(9Z)/18:1(9Z))

Formula: C42H79O10P (774.5411)
Adducts: [M-H2O+NH4]+ (Ppm: 10.5)
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).

PC(16:0/18:1(12Z)-O(9S,10R))

Formula: C42H80NO9P (773.557)
Adducts: [M+H]+ (Ppm: 16.5)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 17.8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PS(18:0/18:0)

Formula: C42H82NO10P (791.5676)
Adducts: [M+H-H2O]+ (Ppm: 17.2)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(15:0/22:6)

Formula: C45H78NO8P (791.5465)
Adducts: [M+H-H2O]+ (Ppm: 8.8)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description