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 821.5676
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055553 Reliable 821.5582 821.5581 ~ 821.5587
MzDiff: 2.5 ppm
PI(16:0/18:0) (BioDeep_00000019301)
Formula: C43H83O13P (838.5571)
5.63 (17%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043110 Unreliable 821.5674 821.5672 ~ 821.5676
MzDiff: 1.4 ppm
PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190622)
Formula: C47H81O9P (820.5618)
6 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058116 Unreliable 821.5674 821.5672 ~ 821.5676
MzDiff: 1.4 ppm
PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190622)
Formula: C47H81O9P (820.5618)
6 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043585 Unreliable 821.5685 821.5682 ~ 821.5688
MzDiff: 2.3 ppm
PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190622)
Formula: C47H81O9P (820.5618)
4 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047501 Unreliable 821.5624 821.5624 ~ 821.5624
MzDiff: none
Not Annotated 2.26 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047768 Unreliable 821.5683 821.5683 ~ 821.5683
MzDiff: none
PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190622)
Formula: C47H81O9P (820.5618)
2.13 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051943 Unreliable 821.5599 821.5599 ~ 821.5599
MzDiff: none
PC(DiMe(11,3)/DiMe(9,3)) (BioDeep_00000054544)
Formula: C46H81NO10P (838.5598)
2.38 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052041 Unreliable 821.5696 821.5696 ~ 821.5696
MzDiff: none
PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190622)
Formula: C47H81O9P (820.5618)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052273 Unreliable 821.5775 821.5775 ~ 821.5775
MzDiff: none
Not Annotated 2.23 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065570 Unreliable 821.5655 821.5655 ~ 821.5655
MzDiff: 0.1 ppm
PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190622)
Formula: C47H81O9P (820.5618)
2.46 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000009233 Unreliable 821.5646 821.5646 ~ 821.5646
MzDiff: none
SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215689)
Formula: C46H81N2O8P (820.573)
2.67 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000492 Unavailable 821.5646 821.5646 ~ 821.5646
MzDiff: none
SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215689)
Formula: C46H81N2O8P (820.573)
-0.28 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000055789 Unreliable 821.5673 821.5673 ~ 821.5673
MzDiff: none
PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000190622)
Formula: C47H81O9P (820.5618)
0.16 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056214 Unavailable 821.5587 821.5587 ~ 821.5587
MzDiff: none
PI(16:0/18:0) (BioDeep_00000019301)
Formula: C43H83O13P (838.5571)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 28 Sample Hits
Metabolite Species Sample
SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C46H81N2O8P (820.573)
Adducts: [M+H]+ (Ppm: 19.1)
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.

m/z_821.5661

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 6.8)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 0.3)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 1.4)
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.

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 0.9)
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).

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 4.1)
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).

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 0.6)
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).

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 5.9)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 2.2)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 3.9)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 2.3)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 4.1)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 1.1)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 1.8)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 1.9)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 3)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 4.3)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 3.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 4.3)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H81O9P (820.5618)
Adducts: [M+H]+ (Ppm: 3.6)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description