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 22 Reference Ions Near m/z 807.5224
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006061 Reliable 807.5135 807.5133 ~ 807.5138
MzDiff: 2.0 ppm
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
19.72 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000043680 Unreliable 807.5161 807.516 ~ 807.5162
MzDiff: 0.7 ppm
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
2.9 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000051912 Unreliable 807.514 807.514 ~ 807.514
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
2.39 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000060441 Unreliable 807.5128 807.5125 ~ 807.513
MzDiff: 1.9 ppm
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
0.4 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000061332 Unreliable 807.5137 807.5135 ~ 807.5139
MzDiff: 1.6 ppm
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
0.62 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000021707 Unreliable 807.5202 807.5202 ~ 807.5202
MzDiff: none
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
0.72 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000058714 Unreliable 807.5126 807.5125 ~ 807.5128
MzDiff: 1.2 ppm
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
1.1 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000002410 Unreliable 807.5127 807.5127 ~ 807.5127
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
1.53 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003616 Unavailable 807.5127 807.5127 ~ 807.5127
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
-0.74 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000005176 Unavailable 807.5127 807.5127 ~ 807.5127
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
-0.66 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005950 Unavailable 807.5127 807.5127 ~ 807.5127
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
-1.07 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000026608 Unreliable 807.5168 807.5168 ~ 807.5168
MzDiff: none
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000028455 Unreliable 807.5211 807.5211 ~ 807.5211
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
1.08 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030262 Unreliable 807.5293 807.5293 ~ 807.5293
MzDiff: none
PG(18:1(11Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000193917)
Formula: C42H79O12P (806.5309)
2.03 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031246 Unreliable 807.5211 807.5211 ~ 807.5211
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
1.64 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044799 Unavailable 807.513 807.513 ~ 807.513
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
-0.47 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000060092 Unavailable 807.5125 807.5125 ~ 807.5125
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
-0.94 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000061560 Unavailable 807.5271 807.5271 ~ 807.5271
MzDiff: none
PG(18:1(11Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000193917)
Formula: C42H79O12P (806.5309)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062240 Unavailable 807.5139 807.5139 ~ 807.5139
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
-0.14 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062407 Unavailable 807.5271 807.5271 ~ 807.5271
MzDiff: none
PG(18:1(11Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000193917)
Formula: C42H79O12P (806.5309)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062697 Unavailable 807.5139 807.5139 ~ 807.5139
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
-0.15 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000062836 Unavailable 807.5271 807.5271 ~ 807.5271
MzDiff: none
PG(18:1(11Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000193917)
Formula: C42H79O12P (806.5309)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 8 Sample Hits
Metabolite Species Sample
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C44H74NO10P (807.505)
Adducts: [M-H2O+NH4]+ (Ppm: 10)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Polypodoside C

Formula: C40H64O14 (768.4296)
Adducts: [M+K]+ (Ppm: 13.7)
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(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C44H74NO10P (807.505)
Adducts: [M-H2O+NH4]+ (Ppm: 14.2)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

N-di-Demethyl roxithromycin

Formula: C40H74N2O14 (806.514)
Adducts: [M+H]+ (Ppm: 0.2)
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

N-di-Demethyl roxithromycin

Formula: C40H74N2O14 (806.514)
Adducts: [M+H]+ (Ppm: 6.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PA(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C45H75O10P (806.5098)
Adducts: [M+H]+ (Ppm: 4.7)
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.

m/z_807.5192

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

N-di-Demethyl roxithromycin

Formula: C40H74N2O14 (806.514)
Adducts: [M+H]+ (Ppm: 1.4)
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).