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 26 Reference Ions Near m/z 830.5163
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055588 Reliable 830.5216 830.5212 ~ 830.5219
MzDiff: 2.9 ppm
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
7.65 (94%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063150 Reliable 830.5104 830.51 ~ 830.5105
MzDiff: 2.2 ppm
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
1.97 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000021896 Unreliable 830.509 830.509 ~ 830.509
MzDiff: none
PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000032635)
Formula: C46H72NO10P (829.4894)
0.56 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000058518 Unreliable 830.5103 830.5102 ~ 830.5103
MzDiff: 0.3 ppm
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
1.21 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000028879 Unreliable 830.5069 830.5069 ~ 830.5069
MzDiff: none
PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000032635)
Formula: C46H72NO10P (829.4894)
0.23 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030435 Unreliable 830.5069 830.5069 ~ 830.5069
MzDiff: none
PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000032635)
Formula: C46H72NO10P (829.4894)
1.78 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031327 Unreliable 830.5069 830.5069 ~ 830.5069
MzDiff: none
PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000032635)
Formula: C46H72NO10P (829.4894)
1.28 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000023255 Unreliable 830.509 830.509 ~ 830.509
MzDiff: none
PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000032635)
Formula: C46H72NO10P (829.4894)
0.41 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000026666 Unreliable 830.5094 830.5094 ~ 830.5094
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000002403 Unreliable 830.5095 830.5095 ~ 830.5095
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
1.76 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003212 Unreliable 830.5095 830.5095 ~ 830.5095
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
0.89 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004923 Unreliable 830.5095 830.5095 ~ 830.5095
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
0.21 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005970 Unavailable 830.5095 830.5095 ~ 830.5095
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
-1.12 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000044175 Unreliable 830.5096 830.5096 ~ 830.5096
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
0.83 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000059875 Unavailable 830.5103 830.5103 ~ 830.5103
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
-0.67 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060780 Unavailable 830.5103 830.5103 ~ 830.5103
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
-0.48 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000061186 Unreliable 830.5133 830.5133 ~ 830.5133
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
1.39 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062116 Unreliable 830.5133 830.5133 ~ 830.5133
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
0.92 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000028553 Unreliable 830.5163 830.5163 ~ 830.5163
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
0.89 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030778 Unreliable 830.5163 830.5163 ~ 830.5163
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
1.01 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031982 Unavailable 830.5163 830.5163 ~ 830.5163
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
-0.33 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000057292 Unreliable 830.5212 830.5212 ~ 830.5212
MzDiff: none
Not Annotated 1.18 (0%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056108 Unavailable 830.5226 830.5226 ~ 830.5226
MzDiff: none
PE(18:2(9Z,12Z)/6 keto-PGF1alpha) (BioDeep_00000186426)
Formula: C43H76NO12P (829.5105)
-0.55 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000028790 Unreliable 830.5249 830.5249 ~ 830.5249
MzDiff: none
PE(20:3(5Z,8Z,11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000187202)
Formula: C47H76NO9P (829.5257)
0.34 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030607 Unreliable 830.5249 830.5249 ~ 830.5249
MzDiff: none
PE(20:3(5Z,8Z,11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000187202)
Formula: C47H76NO9P (829.5257)
1.44 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031429 Unreliable 830.5249 830.5249 ~ 830.5249
MzDiff: none
PE(20:3(5Z,8Z,11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000187202)
Formula: C47H76NO9P (829.5257)
0.82 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex

Found 16 Sample Hits
Metabolite Species Sample
PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 5.9)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 1.8)
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

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 5.2)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 5.3)
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.

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 7.5)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 6.9)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H72NO10P (829.4894)
Adducts: [M+H]+ (Ppm: 16.5)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

m/z_830.5212

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 5)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 5.5)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

saikosaponin B3

Formula: C43H72O14 (812.4922)
Adducts: [M+NH4]+ (Ppm: 3.5)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 4.6)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 5.4)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

PE(18:2(9Z,12Z)/6 keto-PGF1alpha)

Formula: C43H76NO12P (829.5105)
Adducts: [M+H]+ (Ppm: 6.2)
Mus musculus (brain)
Brain01_Bregma1-42_01_centroid
Resolution: 17μm, 447x118

Description