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 24 Reference Ions Near m/z 745.5658
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058291 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
8.98 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058409 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
8.98 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062029 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
8.98 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062997 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
8.98 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063386 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
8.98 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063640 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
8.98 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063691 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
8.98 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000064780 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
8.98 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065075 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
8.98 (44%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000007418 Reliable 745.5582 745.558 ~ 745.5583
MzDiff: 1.2 ppm
SM(d17:2(4E,8Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000215422)
Formula: C40H77N2O8P (744.5417)
3.17 (57%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000057881 Reliable 745.5604 745.56 ~ 745.5608
MzDiff: 3.4 ppm
PA(15:0/24:1(15Z)) (BioDeep_00000107188)
Formula: C42H81O8P (744.5669)
7.33 (43%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065113 Reliable 745.5586 745.5581 ~ 745.5589
MzDiff: 3.3 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
6.23 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043474 Reliable 745.5598 745.5597 ~ 745.5599
MzDiff: 1.1 ppm
SM(d17:2(4E,8Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000215422)
Formula: C40H77N2O8P (744.5417)
2.32 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000008574 Unreliable 745.5579 745.5578 ~ 745.5579
MzDiff: 0.4 ppm
SM(d17:2(4E,8Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000215422)
Formula: C40H77N2O8P (744.5417)
7.03 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000043293 Unreliable 745.5606 745.5601 ~ 745.5608
MzDiff: 3.1 ppm
PA(15:0/24:1(15Z)) (BioDeep_00000107188)
Formula: C42H81O8P (744.5669)
3.78 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057154 Unreliable 745.5587 745.5586 ~ 745.559
MzDiff: 1.5 ppm
SM(d17:2(4E,8Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000215422)
Formula: C40H77N2O8P (744.5417)
1.55 (50%) Homo sapiens
[UBERON:0007779] transudate
MSI_000047056 Unreliable 745.559 745.559 ~ 745.559
MzDiff: none
SM(d17:2(4E,8Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000215422)
Formula: C40H77N2O8P (744.5417)
2.91 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047087 Unreliable 745.5658 745.5658 ~ 745.5658
MzDiff: none
PA(15:0/24:1(15Z)) (BioDeep_00000107188)
Formula: C42H81O8P (744.5669)
2.84 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047227 Unreliable 745.5726 745.5726 ~ 745.5726
MzDiff: none
SM(d18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000215475)
Formula: C41H81N2O7P (744.5781)
2.54 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051682 Unreliable 745.562 745.562 ~ 745.562
MzDiff: none
PA(15:0/24:1(15Z)) (BioDeep_00000107188)
Formula: C42H81O8P (744.5669)
2.65 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051756 Unreliable 745.5688 745.5688 ~ 745.5688
MzDiff: none
Not Annotated 2.48 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052425 Unreliable 745.5756 745.5756 ~ 745.5756
MzDiff: none
SM(d18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000215475)
Formula: C41H81N2O7P (744.5781)
2.03 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000056758 Unreliable 745.5568 745.5567 ~ 745.5569
MzDiff: 0.8 ppm
PA(20:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107441)
Formula: C45H81O8P (780.5669)
2.74 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055936 Unavailable 745.5608 745.5608 ~ 745.5608
MzDiff: none
PC(14:0/18:3(9Z,12Z,15Z)) (BioDeep_00000019200)
Formula: C40H74NO8P (727.5152)
-0.39 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 6 Sample Hits
Metabolite Species Sample
PA(15:0/24:1(15Z))

Formula: C42H81O8P (744.5669)
Adducts: [M+H]+ (Ppm: 18)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PA(20:0/22:4(7Z,10Z,13Z,16Z))

Formula: C45H81O8P (780.5669)
Adducts: [M+H-2H2O]+ (Ppm: 7.2)
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.

PA(15:0/24:1(15Z))

Formula: C42H81O8P (744.5669)
Adducts: [M+H]+ (Ppm: 11.2)
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).

PA(15:0/24:1(15Z))

Formula: C42H81O8P (744.5669)
Adducts: [M+H]+ (Ppm: 11.1)
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(15:0/24:1(15Z))

Formula: C42H81O8P (744.5669)
Adducts: [M+H]+ (Ppm: 16.3)
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(16:0/18:1(12Z)-2OH(9,10))

Formula: C37H71O10P (706.4785)
Adducts: [M+K]+ (Ppm: 11.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description