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 7 Reference Ions Near m/z 815.5648
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055551 Reliable 815.5663 815.5661 ~ 815.5667
MzDiff: 2.8 ppm
SM(d18:2(4E,14Z)/6 keto-PGF1alpha) (BioDeep_00000215565)
Formula: C43H79N2O10P (814.5472)
9.86 (89%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046392 Reliable 815.5744 815.5744 ~ 815.5744
MzDiff: none
PA(22:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000190588)
Formula: C45H83O10P (814.5724)
4.92 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000056804 Unreliable 815.5647 815.5646 ~ 815.5648
MzDiff: 0.9 ppm
SM(d18:2(4E,14Z)/6 keto-PGF1alpha) (BioDeep_00000215565)
Formula: C43H79N2O10P (814.5472)
4.81 (60%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065358 Unreliable 815.5646 815.5642 ~ 815.5649
MzDiff: 2.9 ppm
SM(d18:2(4E,14Z)/6 keto-PGF1alpha) (BioDeep_00000215565)
Formula: C43H79N2O10P (814.5472)
3.57 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000047851 Unreliable 815.5549 815.5549 ~ 815.5549
MzDiff: none
SM(d18:2(4E,14Z)/6 keto-PGF1alpha) (BioDeep_00000215565)
Formula: C43H79N2O10P (814.5472)
2.05 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000029241 Unreliable 815.5578 815.5578 ~ 815.5578
MzDiff: none
PS(18:1(11Z)/20:1(11Z)) (BioDeep_00000104752)
Formula: C44H82NO10P (815.5676)
1.52 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000056285 Unavailable 815.5671 815.5671 ~ 815.5671
MzDiff: none
SM(d18:2(4E,14Z)/6 keto-PGF1alpha) (BioDeep_00000215565)
Formula: C43H79N2O10P (814.5472)
-0.59 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 25 Sample Hits
Metabolite Species Sample
SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 17.4)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M]+ (Ppm: 11.3)
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

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 15)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 9.7)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

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

Formula: C47H78NO8P (815.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 7.5)
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.

PA(22:0/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C45H83O10P (814.5724)
Adducts: [M+H]+ (Ppm: 6.4)
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.

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 12.4)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 14.5)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 15.5)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 14.2)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 14.2)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

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

Formula: C47H78NO8P (815.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 6.1)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 15.6)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 14.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 14.2)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 14.4)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 14.7)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 14.4)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 12.5)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 12.7)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 12.5)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 12.8)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 11.9)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

Formula: C43H79N2O10P (814.5472)
Adducts: [M+H]+ (Ppm: 13)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description