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 14 Reference Ions Near m/z 869.4745
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000063181 Reliable 869.4697 869.4695 ~ 869.4699
MzDiff: 1.7 ppm
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545)
Formula: C45H78O14P2 (904.4867)
1.09 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000061141 Unreliable 869.4713 869.4711 ~ 869.4717
MzDiff: 2.5 ppm
PI(16:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000201278)
Formula: C45H73O14P (868.4738)
3.49 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000058831 Unreliable 869.4695 869.4693 ~ 869.4696
MzDiff: 1.2 ppm
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545)
Formula: C45H78O14P2 (904.4867)
1.91 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000060293 Unavailable 869.4696 869.4693 ~ 869.4699
MzDiff: 2.1 ppm
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545)
Formula: C45H78O14P2 (904.4867)
-0.31 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000002569 Unreliable 869.4693 869.4693 ~ 869.4693
MzDiff: none
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate (BioDeep_00002167495)
Formula: C48H68O14 (868.4609)
0.34 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003264 Unreliable 869.4693 869.4693 ~ 869.4693
MzDiff: none
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate (BioDeep_00002167495)
Formula: C48H68O14 (868.4609)
0.2 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000005293 Unavailable 869.4693 869.4693 ~ 869.4693
MzDiff: none
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate (BioDeep_00002167495)
Formula: C48H68O14 (868.4609)
-0.87 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005515 Unreliable 869.4693 869.4693 ~ 869.4693
MzDiff: none
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate (BioDeep_00002167495)
Formula: C48H68O14 (868.4609)
1.74 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000025070 Unreliable 869.4689 869.4689 ~ 869.4689
MzDiff: none
PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000199401)
Formula: C41H74O15P2 (868.4503)
1.73 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue
MSI_000029855 Unavailable 869.4745 869.4745 ~ 869.4745
MzDiff: none
PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000199401)
Formula: C41H74O15P2 (868.4503)
-0.29 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029985 Unavailable 869.4825 869.4825 ~ 869.4825
MzDiff: none
Lc3Cer (BioDeep_00000055107)
Formula: C40H72N2O18 (868.478)
-0.39 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000044470 Unavailable 869.469 869.469 ~ 869.469
MzDiff: none
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545)
Formula: C45H78O14P2 (904.4867)
-0.31 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000060170 Unavailable 869.4693 869.4693 ~ 869.4693
MzDiff: none
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545)
Formula: C45H78O14P2 (904.4867)
-1.13 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000062179 Unreliable 869.4717 869.4717 ~ 869.4717
MzDiff: none
PI(16:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000201278)
Formula: C45H73O14P (868.4738)
0.32 (100%) Mus musculus
[UBERON:0001950] neocortex

Found 6 Sample Hits
Metabolite Species Sample
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate

Formula: C48H68O14 (868.4609)
Adducts: [M+H]+ (Ppm: 1.3)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C41H74O15P2 (868.4503)
Adducts: [M+H]+ (Ppm: 13.1)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C41H74O15P2 (868.4503)
Adducts: [M+H]+ (Ppm: 19.5)
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

Lc3Cer

Formula: C40H72N2O18 (868.478)
Adducts: [M+H]+ (Ppm: 18.1)
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.

PI(16:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C45H73O14P (868.4738)
Adducts: [M+H]+ (Ppm: 10.7)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

PI(16:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C45H73O14P (868.4738)
Adducts: [M+H]+ (Ppm: 11.4)
Mus musculus (brain)
Brain01_Bregma1-42_01_centroid
Resolution: 17μm, 447x118

Description