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 10 Reference Ions Near m/z 782.6051
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000008145 Reliable 782.6055 782.6051 ~ 782.6058
MzDiff: 2.6 ppm
PE(22:2(13Z,16Z)/P-18:1(11Z)) (BioDeep_00000030784)
Formula: C45H84NO7P (781.5985)
14.31 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000021221 Unreliable 782.6047 782.6045 ~ 782.6048
MzDiff: 1.3 ppm
PE(22:2(13Z,16Z)/P-18:1(11Z)) (BioDeep_00000030784)
Formula: C45H84NO7P (781.5985)
3.1 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008991 Unreliable 782.6013 782.6013 ~ 782.6013
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
3.17 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000767 Unavailable 782.6013 782.6013 ~ 782.6013
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
-0.59 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000007678 782.5954 782.5954 ~ 782.5954
MzDiff: none
Not Annotated 1.5 (0%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020555 782.5966 782.5966 ~ 782.5966
MzDiff: none
Not Annotated 1.99 (0%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000028173 Unreliable 782.5979 782.5979 ~ 782.5979
MzDiff: none
PE(22:2(13Z,16Z)/P-18:1(11Z)) (BioDeep_00000030784)
Formula: C45H84NO7P (781.5985)
1.8 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029683 Unavailable 782.5979 782.5979 ~ 782.5979
MzDiff: none
PE(22:2(13Z,16Z)/P-18:1(11Z)) (BioDeep_00000030784)
Formula: C45H84NO7P (781.5985)
-0.1 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030371 Unreliable 782.6117 782.6117 ~ 782.6117
MzDiff: none
SM(d19:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000215601)
Formula: C44H83N2O7P (782.5938)
1.87 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000043991 Unreliable 782.6133 782.6133 ~ 782.6133
MzDiff: none
PA(20:1(11Z)/22:2(13Z,16Z)) (BioDeep_00000107467)
Formula: C45H83O8P (782.5825)
2.08 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 15 Sample Hits
Metabolite Species Sample
PA(20:1(11Z)/22:2(13Z,16Z))

Formula: C45H83O8P (782.5825)
Adducts: [M-H2O+NH4]+ (Ppm: 5.7)
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.

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 0.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 0.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 0.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 0.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 0.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 1.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 1.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 1.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 10.1)
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

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 5.1)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 9.8)
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(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 2.1)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PE(22:2(13Z,16Z)/P-18:1(11Z))

Formula: C45H84NO7P (781.5985)
Adducts: [M+H]+ (Ppm: 2.7)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description