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 20 Reference Ions Near m/z 760.6142
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046423 Reliable 760.6091 760.6091 ~ 760.6091
MzDiff: none
PC(16:0/18:1(9Z)) (BioDeep_00000017449)
Formula: C42H82NO8P (759.5778)
4.76 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000007059 Unreliable 760.6066 760.6062 ~ 760.6069
MzDiff: 2.8 ppm
PE(P-18:0/20:0) (BioDeep_00000018583)
Formula: C43H86NO7P (759.6142)
7.05 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020378 Unreliable 760.6233 760.6232 ~ 760.6236
MzDiff: 1.9 ppm
Not Annotated 4.78 (0%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000021165 Unreliable 760.6092 760.6091 ~ 760.6092
MzDiff: 0.4 ppm
PE(P-18:0/20:0) (BioDeep_00000018583)
Formula: C43H86NO7P (759.6142)
3.54 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020892 Unreliable 760.6174 760.6173 ~ 760.6175
MzDiff: 1.1 ppm
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
4.06 (33%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007166 Unreliable 760.6135 760.6135 ~ 760.6135
MzDiff: none
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
2.94 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007535 760.6221 760.6221 ~ 760.6221
MzDiff: none
Not Annotated 1.79 (0%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008897 Unreliable 760.6044 760.6044 ~ 760.6044
MzDiff: none
PC(16:0/18:1(9Z)) (BioDeep_00000017449)
Formula: C42H82NO8P (759.5778)
3.21 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008966 Unreliable 760.6121 760.6121 ~ 760.6121
MzDiff: none
PE(P-18:0/20:0) (BioDeep_00000018583)
Formula: C43H86NO7P (759.6142)
3.18 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000621 Unavailable 760.6044 760.6044 ~ 760.6044
MzDiff: none
PC(16:0/18:1(9Z)) (BioDeep_00000017449)
Formula: C42H82NO8P (759.5778)
-0.51 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000623 Unavailable 760.6121 760.6121 ~ 760.6121
MzDiff: none
PE(P-18:0/20:0) (BioDeep_00000018583)
Formula: C43H86NO7P (759.6142)
-0.51 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028260 Unreliable 760.6211 760.6211 ~ 760.6211
MzDiff: none
Not Annotated 1.59 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028387 Unreliable 760.6155 760.6155 ~ 760.6155
MzDiff: none
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
1.24 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028966 Unreliable 760.6091 760.6091 ~ 760.6091
MzDiff: none
PE(P-18:0/20:0) (BioDeep_00000018583)
Formula: C43H86NO7P (759.6142)
0.11 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029327 Unreliable 760.6091 760.6091 ~ 760.6091
MzDiff: none
PE(P-18:0/20:0) (BioDeep_00000018583)
Formula: C43H86NO7P (759.6142)
1.27 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029483 Unreliable 760.6155 760.6155 ~ 760.6155
MzDiff: none
PA(16:0/24:0) (BioDeep_00000107206)
Formula: C43H85O8P (760.5982)
0.73 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029589 Unreliable 760.6211 760.6211 ~ 760.6211
MzDiff: none
Not Annotated 0.27 (0%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030998 Unreliable 760.6091 760.6091 ~ 760.6091
MzDiff: none
PE(P-18:0/20:0) (BioDeep_00000018583)
Formula: C43H86NO7P (759.6142)
0.32 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000044218 Unreliable 760.6088 760.6088 ~ 760.6088
MzDiff: none
PC(16:0/18:1(9Z)) (BioDeep_00000017449)
Formula: C42H82NO8P (759.5778)
0.61 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000044864 Unavailable 760.6215 760.6215 ~ 760.6215
MzDiff: none
Not Annotated -0.5 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 12 Sample Hits
Metabolite Species Sample
PE(P-18:0/20:0)

Formula: C43H86NO7P (759.6142)
Adducts: [M+H]+ (Ppm: 12.3)
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.

PA(16:0/24:0)

Formula: C43H85O8P (760.5982)
Adducts: [M-H2O+NH4]+ (Ppm: 7.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PA(16:0/24:0)

Formula: C43H85O8P (760.5982)
Adducts: [M-H2O+NH4]+ (Ppm: 5.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PA(16:0/24:0)

Formula: C43H85O8P (760.5982)
Adducts: [M-H2O+NH4]+ (Ppm: 10.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

PA(16:0/24:0)

Formula: C43H85O8P (760.5982)
Adducts: [M-H2O+NH4]+ (Ppm: 12.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PE(P-18:0/20:0)

Formula: C43H86NO7P (759.6142)
Adducts: [M+H]+ (Ppm: 9.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PE(P-18:0/20:0)

Formula: C43H86NO7P (759.6142)
Adducts: [M+H]+ (Ppm: 16.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

m/z_760.619

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

m/z_760.6124

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

PA(16:0/24:0)

Formula: C43H85O8P (760.5982)
Adducts: [M-H2O+NH4]+ (Ppm: 11.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

PE(P-18:0/20:0)

Formula: C43H86NO7P (759.6142)
Adducts: [M+H]+ (Ppm: 16.2)
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

PC(16:0/18:1(9Z))

Formula: C42H82NO8P (759.5778)
Adducts: [M-H2O+NH4]+ (Ppm: 0.3)
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.