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 19 Reference Ions Near m/z 734.5827
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006377 Reliable 734.5796 734.5791 ~ 734.58
MzDiff: 3.5 ppm
PC(O-18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000032930)
Formula: C44H84NO7P (769.5985)
7.25 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000046037 Reliable 734.5922 734.5922 ~ 734.5922
MzDiff: none
PC(O-18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000032930)
Formula: C44H84NO7P (769.5985)
6.97 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000011527 Unavailable 734.5781 734.5781 ~ 734.5781
MzDiff: none
PC(O-18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000032930)
Formula: C44H84NO7P (769.5985)
-0.29 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011528 Unavailable 734.5857 734.5857 ~ 734.5857
MzDiff: none
DG(21:0/PGE2/0:0) (BioDeep_00000221482)
Formula: C44H78O8 (734.5696)
-0.29 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009727 Unavailable 734.5857 734.5857 ~ 734.5857
MzDiff: none
DG(21:0/PGE2/0:0) (BioDeep_00000221482)
Formula: C44H78O8 (734.5696)
-1.54 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009736 Unavailable 734.5781 734.5781 ~ 734.5781
MzDiff: none
PC(O-18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000032930)
Formula: C44H84NO7P (769.5985)
-1.57 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000027578 Unreliable 734.5755 734.5753 ~ 734.5758
MzDiff: 2.3 ppm
PC(O-18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000032930)
Formula: C44H84NO7P (769.5985)
2.62 (50%) Mus musculus
[UBERON:0002048] lung
MSI_000000019 Unreliable 734.5857 734.5857 ~ 734.5857
MzDiff: none
DG(21:0/PGE2/0:0) (BioDeep_00000221482)
Formula: C44H78O8 (734.5696)
2.25 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000022 Unreliable 734.5781 734.5781 ~ 734.5781
MzDiff: none
PC(O-18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000032930)
Formula: C44H84NO7P (769.5985)
2.24 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028231 Unreliable 734.5909 734.5909 ~ 734.5909
MzDiff: none
Not Annotated 1.64 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028380 Unreliable 734.5827 734.5827 ~ 734.5827
MzDiff: none
DG(21:0/PGE2/0:0) (BioDeep_00000221482)
Formula: C44H78O8 (734.5696)
1.26 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028509 Unreliable 734.5775 734.5775 ~ 734.5775
MzDiff: none
Menaquinone 8 (BioDeep_00000180727)
Formula: C51H72O2 (716.5532)
0.98 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030301 Unreliable 734.5775 734.5775 ~ 734.5775
MzDiff: none
Menaquinone 8 (BioDeep_00000180727)
Formula: C51H72O2 (716.5532)
1.97 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030879 Unreliable 734.5827 734.5827 ~ 734.5827
MzDiff: none
DG(21:0/PGE2/0:0) (BioDeep_00000221482)
Formula: C44H78O8 (734.5696)
0.7 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000044144 Unreliable 734.5914 734.5914 ~ 734.5914
MzDiff: none
PC(O-18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000032930)
Formula: C44H84NO7P (769.5985)
1.16 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000044196 Unreliable 734.5765 734.5765 ~ 734.5765
MzDiff: none
Not Annotated 0.72 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061673 Unavailable 734.5786 734.5786 ~ 734.5786
MzDiff: none
Not Annotated -0.35 (0%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062416 Unavailable 734.5786 734.5786 ~ 734.5786
MzDiff: none
Not Annotated -0.35 (0%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062744 Unavailable 734.5786 734.5786 ~ 734.5786
MzDiff: none
Not Annotated -0.35 (0%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 12 Sample Hits
Metabolite Species Sample
DG(21:0/PGE2/0:0)

Formula: C44H78O8 (734.5696)
Adducts: [M-H2O+NH4]+ (Ppm: 9.8)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 6.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 6.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 7.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 7.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 6.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 7.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 5.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 6.3)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 6.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

DG(21:0/PGE2/0:0)

Formula: C44H78O8 (734.5696)
Adducts: [M-H2O+NH4]+ (Ppm: 13.9)
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

PC(O-18:1(9Z)/18:2(9Z,12Z))

Formula: C44H84NO7P (769.5985)
Adducts: [M+H-2H2O]+ (Ppm: 10.3)
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.