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 497.3505
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000020368 Reliable 497.3433 497.3432 ~ 497.3434
MzDiff: 0.9 ppm
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
7.31 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000057782 Reliable 497.3486 497.3485 ~ 497.3487
MzDiff: 0.9 ppm
Butyryl trihexyl citrate (BioDeep_00000175300)
Formula: C28H50O8 (514.3506)
3.5 (64%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000061867 Reliable 497.3425 497.3425 ~ 497.3425
MzDiff: 0.1 ppm
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000054999)
Formula: C23H39O7P (458.2433)
4.44 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000045951 Reliable 497.3406 497.3406 ~ 497.3406
MzDiff: none
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000054999)
Formula: C23H39O7P (458.2433)
7.63 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000025571 Unreliable 497.3426 497.3424 ~ 497.3428
MzDiff: 1.6 ppm
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
2.51 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000010649 Unavailable 497.3433 497.3432 ~ 497.3433
MzDiff: 0.1 ppm
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
-2.27 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000009014 Unreliable 497.3504 497.3504 ~ 497.3504
MzDiff: none
1-Palmitoylglycerophosphocholine (BioDeep_00000003502)
Formula: [C24H51NO7P]+ (496.3403)
3.15 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000011924 Unavailable 497.3433 497.3433 ~ 497.3433
MzDiff: 0.0 ppm
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
-0.42 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000058541 Unreliable 497.3433 497.3431 ~ 497.3434
MzDiff: 1.1 ppm
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
1.3 (50%) Mus musculus
[UBERON:0001950] neocortex
MSI_000000494 Unavailable 497.3504 497.3504 ~ 497.3504
MzDiff: none
1-Palmitoylglycerophosphocholine (BioDeep_00000003502)
Formula: [C24H51NO7P]+ (496.3403)
-0.28 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000003930 Unreliable 497.3427 497.3427 ~ 497.3427
MzDiff: none
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
1.32 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000025725 Unreliable 497.3478 497.3478 ~ 497.3478
MzDiff: none
Not Annotated 2.15 (0%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000028034 Unreliable 497.3433 497.3433 ~ 497.3433
MzDiff: none
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
1.81 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000044443 Unavailable 497.3431 497.3431 ~ 497.3431
MzDiff: none
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0) (BioDeep_00000054999)
Formula: C23H39O7P (458.2433)
-0.25 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000049782 Unreliable 497.343 497.343 ~ 497.343
MzDiff: none
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
1.56 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000051085 Unreliable 497.343 497.343 ~ 497.343
MzDiff: none
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
0.08 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000057129 Unreliable 497.3444 497.3444 ~ 497.3444
MzDiff: none
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
1.37 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000059902 Unavailable 497.3431 497.3431 ~ 497.3431
MzDiff: none
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
-0.69 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060738 Unavailable 497.3431 497.3431 ~ 497.3431
MzDiff: none
LysoPE(18:1(9Z)/0:0) (BioDeep_00000019096)
Formula: C23H46NO7P (479.3012)
-0.46 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 12 Sample Hits
Metabolite Species Sample
1-Palmitoylglycerophosphocholine

Formula: [C24H51NO7P]+ (496.3403)
Adducts: [M+H]+ (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.

LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0)

Formula: C23H39O7P (458.2433)
Adducts: [M+K]+ (Ppm: 16.7)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Butyryl trihexyl citrate

Formula: C28H50O8 (514.3506)
Adducts: [M+H-H2O]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0)

Formula: C23H39O7P (458.2433)
Adducts: [M+K]+ (Ppm: 17.7)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0)

Formula: C23H39O7P (458.2433)
Adducts: [M+K]+ (Ppm: 1)
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.

LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0)

Formula: C23H39O7P (458.2433)
Adducts: [M+K]+ (Ppm: 14.9)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Butyryl trihexyl citrate

Formula: C28H50O8 (514.3506)
Adducts: [M+H-H2O]+ (Ppm: 2.7)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0)

Formula: C23H39O7P (458.2433)
Adducts: [M+K]+ (Ppm: 16.9)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0)

Formula: C23H39O7P (458.2433)
Adducts: [M+K]+ (Ppm: 15.9)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0)

Formula: C23H39O7P (458.2433)
Adducts: [M+K]+ (Ppm: 18.9)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

Butyryl trihexyl citrate

Formula: C28H50O8 (514.3506)
Adducts: [M+H-H2O]+ (Ppm: 2.5)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

LysoPE(18:1(9Z)/0:0)

Formula: C23H46NO7P (479.3012)
Adducts: [M+NH4]+ (Ppm: 16.3)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description