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 14 Reference Ions Near m/z 533.3517
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011541 Unavailable 533.3454 533.3454 ~ 533.3454
MzDiff: none
Not Annotated -0.5 (%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000021236 Unreliable 533.3476 533.3472 ~ 533.3479
MzDiff: 3.1 ppm
DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) (BioDeep_00000222198)
Formula: C31H50O8 (550.3506)
7.3 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000011543 Unavailable 533.3517 533.3517 ~ 533.3517
MzDiff: none
(2s,3r,4s,5s,6r)-5-hydroxy-6-methyl-2-{[(2r)-6-methyl-2-[(1s)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxy}-4-{[(2z)-2-methylbut-2-enoyl]oxy}oxan-3-yl (2z)-2-methylbut-2-enoate (BioDeep_00002058550)
Formula: C31H48O7 (532.34)
-0.61 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011555 Unavailable 533.3614 533.3614 ~ 533.3614
MzDiff: none
33-Deoxy-33-hydroperoxyfurohyperforin (BioDeep_00000035620)
Formula: C35H52O6 (568.3764)
-0.8 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000008431 Unreliable 533.3439 533.3438 ~ 533.3439
MzDiff: 0.6 ppm
LysoPC(18:4(6Z,9Z,12Z,15Z)/0:0) (BioDeep_00000031482)
Formula: C26H46NO7P (515.3012)
6.22 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000008687 Unreliable 533.3464 533.3462 ~ 533.3466
MzDiff: 1.4 ppm
DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) (BioDeep_00000222198)
Formula: C31H50O8 (550.3506)
7.05 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000009408 Unavailable 533.3454 533.3454 ~ 533.3454
MzDiff: none
Not Annotated -0.34 (%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000007175 Unreliable 533.3489 533.3489 ~ 533.3489
MzDiff: none
Not Annotated 2.88 (%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009717 Unavailable 533.3517 533.3517 ~ 533.3517
MzDiff: none
(2s,3r,4s,5s,6r)-5-hydroxy-6-methyl-2-{[(2r)-6-methyl-2-[(1s)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxy}-4-{[(2z)-2-methylbut-2-enoyl]oxy}oxan-3-yl (2z)-2-methylbut-2-enoate (BioDeep_00002058550)
Formula: C31H48O7 (532.34)
-1.52 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009684 Unavailable 533.3614 533.3614 ~ 533.3614
MzDiff: none
33-Deoxy-33-hydroperoxyfurohyperforin (BioDeep_00000035620)
Formula: C35H52O6 (568.3764)
-1.4 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000057049 Unreliable 533.3442 533.3442 ~ 533.3442
MzDiff: none
LysoPC(18:4(6Z,9Z,12Z,15Z)/0:0) (BioDeep_00000031482)
Formula: C26H46NO7P (515.3012)
1.43 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000000344 Unreliable 533.3454 533.3454 ~ 533.3454
MzDiff: none
Not Annotated 0.62 (%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000235 Unreliable 533.3517 533.3517 ~ 533.3517
MzDiff: none
(2s,3r,4s,5s,6r)-5-hydroxy-6-methyl-2-{[(2r)-6-methyl-2-[(1s)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxy}-4-{[(2z)-2-methylbut-2-enoyl]oxy}oxan-3-yl (2z)-2-methylbut-2-enoate (BioDeep_00002058550)
Formula: C31H48O7 (532.34)
1.31 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000191 Unreliable 533.3614 533.3614 ~ 533.3614
MzDiff: none
33-Deoxy-33-hydroperoxyfurohyperforin (BioDeep_00000035620)
Formula: C35H52O6 (568.3764)
1.62 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 3 Sample Hits
Metabolite Species Sample
(2s,3r,4s,5s,6r)-5-hydroxy-6-methyl-2-{[(2r)-6-methyl-2-[(1s)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxy}-4-{[(2z)-2-methylbut-2-enoyl]oxy}oxan-3-yl (2z)-2-methylbut-2-enoate

Formula: C31H48O7 (532.34)
Adducts: [M+H]+ (Ppm: 8.3)
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.

DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)

Formula: C31H50O8 (550.3506)
Adducts: [M+H-H2O]+ (Ppm: 1.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

LysoPC(18:4(6Z,9Z,12Z,15Z)/0:0)

Formula: C26H46NO7P (515.3012)
Adducts: [M+NH4]+ (Ppm: 18.2)
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.