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 17 Reference Ions Near m/z 761.6064
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007188 Reliable 761.5995 761.5993 ~ 761.5997
MzDiff: 1.9 ppm
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
6.47 (83%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020927 Unreliable 761.6018 761.6016 ~ 761.602
MzDiff: 1.4 ppm
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
4.78 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020506 Unreliable 761.6103 761.6101 ~ 761.6104
MzDiff: 1.5 ppm
Cer(d18:0/LTE4) (BioDeep_00000214954)
Formula: C41H74N2O6S (722.5267)
5.34 (50%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007189 Unreliable 761.6073 761.6073 ~ 761.6073
MzDiff: 0.0 ppm
PC(16:0/18:0) (BioDeep_00000018574)
Formula: C42H84NO8P (761.5934)
4.67 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008855 Unreliable 761.6038 761.6038 ~ 761.6038
MzDiff: none
Not Annotated 3.24 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000685 Unavailable 761.6038 761.6038 ~ 761.6038
MzDiff: none
Not Annotated -0.54 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028196 Unreliable 761.5979 761.5979 ~ 761.5979
MzDiff: none
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
1.73 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028263 Unreliable 761.6157 761.6157 ~ 761.6157
MzDiff: none
Cer(d18:0/LTE4) (BioDeep_00000214954)
Formula: C41H74N2O6S (722.5267)
1.59 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028389 Unreliable 761.6067 761.6067 ~ 761.6067
MzDiff: none
PC(16:0/18:0) (BioDeep_00000018574)
Formula: C42H84NO8P (761.5934)
1.23 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029419 Unreliable 761.6067 761.6067 ~ 761.6067
MzDiff: none
PC(16:0/18:0) (BioDeep_00000018574)
Formula: C42H84NO8P (761.5934)
0.96 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029675 Unavailable 761.6157 761.6157 ~ 761.6157
MzDiff: none
Cer(d18:0/LTE4) (BioDeep_00000214954)
Formula: C41H74N2O6S (722.5267)
-0.08 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030958 Unreliable 761.5979 761.5979 ~ 761.5979
MzDiff: none
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
0.46 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031885 Unavailable 761.5979 761.5979 ~ 761.5979
MzDiff: none
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
-0.26 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044248 Unreliable 761.612 761.612 ~ 761.612
MzDiff: none
PC(16:0/18:0) (BioDeep_00000018574)
Formula: C42H84NO8P (761.5934)
0.51 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061647 Unavailable 761.601 761.601 ~ 761.601
MzDiff: none
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062311 Unavailable 761.601 761.601 ~ 761.601
MzDiff: none
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062742 Unavailable 761.601 761.601 ~ 761.601
MzDiff: none
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 14 Sample Hits
Metabolite Species Sample
m/z_761.6038

Formula: - (n/a)
Adducts: (Ppm: 0)
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(16:0/18:0)

Formula: C42H84NO8P (761.5934)
Adducts: [M-H2O+NH4]+ (Ppm: 13.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PC(16:0/18:0)

Formula: C42H84NO8P (761.5934)
Adducts: [M-H2O+NH4]+ (Ppm: 12.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PC(16:0/18:0)

Formula: C42H84NO8P (761.5934)
Adducts: [M-H2O+NH4]+ (Ppm: 12.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

Cer(d18:0/LTE4)

Formula: C41H74N2O6S (722.5267)
Adducts: [M+K]+ (Ppm: 18.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

Cer(d18:0/LTE4)

Formula: C41H74N2O6S (722.5267)
Adducts: [M+K]+ (Ppm: 18.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PA(16:0/24:0)

Formula: C43H85O8P (760.5982)
Adducts: [M+H]+ (Ppm: 4.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

PC(16:0/18:0)

Formula: C42H84NO8P (761.5934)
Adducts: [M-H2O+NH4]+ (Ppm: 10.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

PC(16:0/18:0)

Formula: C42H84NO8P (761.5934)
Adducts: [M-H2O+NH4]+ (Ppm: 9.2)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

Cer(d18:0/LTE4)

Formula: C41H74N2O6S (722.5267)
Adducts: [M+K]+ (Ppm: 17.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

PC(16:0/18:0)

Formula: C42H84NO8P (761.5934)
Adducts: [M-H2O+NH4]+ (Ppm: 14.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

PA(16:0/24:0)

Formula: C43H85O8P (760.5982)
Adducts: [M+H]+ (Ppm: 9.9)
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(16:0/18:0)

Formula: C42H84NO8P (761.5934)
Adducts: [M-H2O+NH4]+ (Ppm: 13.1)
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(16:0/18:0)

Formula: C42H84NO8P (761.5934)
Adducts: [M-H2O+NH4]+ (Ppm: 7.2)
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.