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 13 Reference Ions Near m/z 728.5542
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043258 Reliable 728.5614 728.561 ~ 728.5618
MzDiff: 3.1 ppm
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969)
Formula: C41H78NO7P (727.5516)
16.54 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057902 Reliable 728.5604 728.56 ~ 728.5606
MzDiff: 2.3 ppm
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969)
Formula: C41H78NO7P (727.5516)
14.89 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046843 Reliable 728.549 728.549 ~ 728.549
MzDiff: none
PC(15:0/18:1(9Z)) (BioDeep_00000019204)
Formula: C41H80NO8P (745.5621)
3.25 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000057242 Unreliable 728.5602 728.56 ~ 728.5605
MzDiff: 2.0 ppm
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969)
Formula: C41H78NO7P (727.5516)
1.62 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000043777 Unreliable 728.5623 728.5623 ~ 728.5624
MzDiff: 0.2 ppm
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969)
Formula: C41H78NO7P (727.5516)
2.63 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047647 Unreliable 728.5521 728.5521 ~ 728.5521
MzDiff: none
PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) (BioDeep_00000029523)
Formula: C44H78NO7P (763.5516)
2.2 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047712 Unreliable 728.5587 728.5587 ~ 728.5587
MzDiff: none
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969)
Formula: C41H78NO7P (727.5516)
2.16 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047892 Unreliable 728.5455 728.5455 ~ 728.5455
MzDiff: none
Not Annotated 2.02 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052637 Unreliable 728.5554 728.5554 ~ 728.5554
MzDiff: none
SM(d17:1/18:1(12Z)-O(9S,10R)) (BioDeep_00000215371)
Formula: C40H77N2O7P (728.5468)
0.97 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000043549 Unreliable 728.5624 728.5624 ~ 728.5624
MzDiff: none
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969)
Formula: C41H78NO7P (727.5516)
1.47 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056726 Unreliable 728.5583 728.5582 ~ 728.5584
MzDiff: 1.1 ppm
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969)
Formula: C41H78NO7P (727.5516)
2.93 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065282 Unreliable 728.5598 728.5598 ~ 728.5598
MzDiff: none
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969)
Formula: C41H78NO7P (727.5516)
1.43 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056189 Unavailable 728.5623 728.5623 ~ 728.5623
MzDiff: none
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969)
Formula: C41H78NO7P (727.5516)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 12 Sample Hits
Metabolite Species Sample
PE(P-18:0/18:2(9Z,12Z))

Formula: C41H78NO7P (727.5516)
Adducts: [M+H]+ (Ppm: 0.9)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PC(15:0/18:1(9Z))

Formula: C41H80NO8P (745.5621)
Adducts: [M+H-H2O]+ (Ppm: 13.5)
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.

PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))

Formula: C44H78NO7P (763.5516)
Adducts: [M+H-2H2O]+ (Ppm: 19.8)
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).

SM(d17:1/18:1(12Z)-O(9S,10R))

Formula: C40H77N2O7P (728.5468)
Adducts: [M]+ (Ppm: 13.2)
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).

SM(d17:1/18:1(12Z)-O(9S,10R))

Formula: C40H77N2O7P (728.5468)
Adducts: [M]+ (Ppm: 12.5)
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).

SM(d17:1/18:1(12Z)-O(9S,10R))

Formula: C40H77N2O7P (728.5468)
Adducts: [M]+ (Ppm: 10.9)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(P-18:0/18:2(9Z,12Z))

Formula: C41H78NO7P (727.5516)
Adducts: [M+H]+ (Ppm: 1.7)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PE(P-18:0/18:2(9Z,12Z))

Formula: C41H78NO7P (727.5516)
Adducts: [M+H]+ (Ppm: 2.4)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PE(P-18:0/18:2(9Z,12Z))

Formula: C41H78NO7P (727.5516)
Adducts: [M+H]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PE(P-18:0/18:2(9Z,12Z))

Formula: C41H78NO7P (727.5516)
Adducts: [M+H]+ (Ppm: 4.1)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(P-18:0/18:2(9Z,12Z))

Formula: C41H78NO7P (727.5516)
Adducts: [M+H]+ (Ppm: 2.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PE(P-18:0/18:2(9Z,12Z))

Formula: C41H78NO7P (727.5516)
Adducts: [M+H]+ (Ppm: 0.1)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB