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 24 Reference Ions Near m/z 772.5591
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000020287 Reliable 772.5613 772.5611 ~ 772.5615
MzDiff: 1.5 ppm
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
7.32 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000043344 Reliable 772.5516 772.5513 ~ 772.5519
MzDiff: 2.4 ppm
PS(18:0/18:1(9Z)) (BioDeep_00000019314)
Formula: C42H80NO10P (789.552)
4.82 (71%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000011355 Unreliable 772.5508 772.5508 ~ 772.5508
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
0.81 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011432 Unreliable 772.5591 772.5591 ~ 772.5591
MzDiff: none
Not Annotated 0.35 (0%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000047767 Unreliable 772.5649 772.5649 ~ 772.5649
MzDiff: none
Not Annotated 2.13 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052168 Unreliable 772.5684 772.5684 ~ 772.5684
MzDiff: none
Not Annotated 2.29 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052313 Unreliable 772.5617 772.5617 ~ 772.5617
MzDiff: none
Not Annotated 2.2 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052458 Unreliable 772.5524 772.5524 ~ 772.5524
MzDiff: none
PS(18:0/18:1(9Z)) (BioDeep_00000019314)
Formula: C42H80NO10P (789.552)
1.99 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000061842 Unavailable 772.5636 772.5636 ~ 772.5636
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
-1.07 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000063244 Unreliable 772.5671 772.5671 ~ 772.5671
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
1.34 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000063494 Unreliable 772.5608 772.5608 ~ 772.5608
MzDiff: none
PS(18:0/18:1(9Z)) (BioDeep_00000019314)
Formula: C42H80NO10P (789.552)
1.64 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000065275 Unreliable 772.5499 772.5499 ~ 772.5499
MzDiff: none
PS(18:0/18:1(9Z)) (BioDeep_00000019314)
Formula: C42H80NO10P (789.552)
1.29 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000000063 Unreliable 772.5591 772.5591 ~ 772.5591
MzDiff: none
Not Annotated 2.13 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000129 Unreliable 772.5508 772.5508 ~ 772.5508
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
1.97 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028255 Unreliable 772.5545 772.5545 ~ 772.5545
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
1.6 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000044098 Unreliable 772.5497 772.5497 ~ 772.5497
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
1.47 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000044415 Unavailable 772.5636 772.5636 ~ 772.5636
MzDiff: none
Not Annotated -0.18 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000056097 Unavailable 772.5525 772.5525 ~ 772.5525
MzDiff: none
PS(18:0/18:1(9Z)) (BioDeep_00000019314)
Formula: C42H80NO10P (789.552)
-0.55 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000057512 Unreliable 772.5507 772.5507 ~ 772.5507
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
0.9 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000058520 Unreliable 772.5595 772.5595 ~ 772.5595
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
1.15 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059877 Unavailable 772.5595 772.5595 ~ 772.5595
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
-0.67 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060778 Unavailable 772.5595 772.5595 ~ 772.5595
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
-0.48 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000062903 Unavailable 772.5629 772.5629 ~ 772.5629
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
-0.46 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000064905 Unreliable 772.567 772.567 ~ 772.567
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
0.45 (100%) Mus musculus
[UBERON:0001950] neocortex

Found 13 Sample Hits
Metabolite Species Sample
m/z_772.5591

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(16:0/22:5)

Formula: C46H82NO8P (807.5778)
Adducts: [M+H-2H2O]+ (Ppm: 12.2)
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(16:0/22:5)

Formula: C46H82NO8P (807.5778)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(16:0/22:5)

Formula: C46H82NO8P (807.5778)
Adducts: [M+H-2H2O]+ (Ppm: 8.3)
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.

m/z_772.5584

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

m/z_772.5568

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

m/z_772.5617

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

DG(20:0/LTE4/0:0)

Formula: C46H81NO8S (807.5683)
Adducts: [M+H-2H2O]+ (Ppm: 1.3)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PC(16:0/22:5)

Formula: C46H82NO8P (807.5778)
Adducts: [M+H-2H2O]+ (Ppm: 17.1)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PC(16:0/22:5)

Formula: C46H82NO8P (807.5778)
Adducts: [M+H-2H2O]+ (Ppm: 5.7)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description

PC(16:0/22:5)

Formula: C46H82NO8P (807.5778)
Adducts: [M+H-2H2O]+ (Ppm: 1.3)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

PC(16:0/22:5)

Formula: C46H82NO8P (807.5778)
Adducts: [M+H-2H2O]+ (Ppm: 0.4)
Mus musculus (brain)
Brain01_Bregma1-42_01_centroid
Resolution: 17μm, 447x118

Description

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

Formula: C42H80NO10P (789.552)
Adducts: [M+H-H2O]+ (Ppm: 15.7)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description