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 856.5521
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000056787 Reliable 856.5484 856.5481 ~ 856.549
MzDiff: 3.8 ppm
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
4.92 (88%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046576 Reliable 856.5429 856.5429 ~ 856.5429
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
4.05 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000065335 Unreliable 856.5476 856.5471 ~ 856.5478
MzDiff: 2.8 ppm
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
3.64 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000051843 Unreliable 856.5471 856.5471 ~ 856.5471
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
2.42 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052034 Unreliable 856.5564 856.5564 ~ 856.5564
MzDiff: none
PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000207037)
Formula: C46H82NO11P (855.5625)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000001217 Unavailable 856.5522 856.5522 ~ 856.5522
MzDiff: none
Not Annotated -0.49 (0%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001375 Unavailable 856.5589 856.5589 ~ 856.5589
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
-0.63 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001378 Unavailable 856.5468 856.5468 ~ 856.5468
MzDiff: none
PE(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000187154)
Formula: C45H78NO12P (855.5261)
-0.64 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001616 Unavailable 856.5522 856.5522 ~ 856.5522
MzDiff: none
Not Annotated -0.43 (0%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000001833 Unavailable 856.5589 856.5589 ~ 856.5589
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
-0.64 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000001849 Unavailable 856.5468 856.5468 ~ 856.5468
MzDiff: none
PE(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000187154)
Formula: C45H78NO12P (855.5261)
-0.66 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000001923 Unreliable 856.5522 856.5522 ~ 856.5522
MzDiff: none
Not Annotated 2.44 (0%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000001946 Unreliable 856.5589 856.5589 ~ 856.5589
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
0.11 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000001952 Unavailable 856.5468 856.5468 ~ 856.5468
MzDiff: none
PE(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000187154)
Formula: C45H78NO12P (855.5261)
-0.09 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000002715 Unavailable 856.5462 856.5462 ~ 856.5462
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
-0.36 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003397 Unavailable 856.5462 856.5462 ~ 856.5462
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
-0.37 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004711 Unreliable 856.5462 856.5462 ~ 856.5462
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
2.47 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005652 Unavailable 856.5462 856.5462 ~ 856.5462
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
-0.38 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000030699 Unreliable 856.5448 856.5448 ~ 856.5448
MzDiff: none
Not Annotated 1.22 (0%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000044849 Unavailable 856.5465 856.5465 ~ 856.5465
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098)
Formula: C49H78NO9P (855.5414)
-0.5 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 22 Sample Hits
Metabolite Species Sample
m/z_856.5522

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

AP-MALDI instrument demo test, mass spectrum scan in centroid mode.

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 0.7)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 6.7)
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.

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 2.6)
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).

PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C46H82NO11P (855.5625)
Adducts: [M+H]+ (Ppm: 15.6)
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).

PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C46H82NO11P (855.5625)
Adducts: [M+H]+ (Ppm: 15.6)
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).

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 6.8)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 0.2)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 0.7)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 0.4)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 0.5)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PC(16:0/PGF1alpha)

Formula: C44H84NO11P (833.5782)
Adducts: [M+Na]+ (Ppm: 17.8)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 2.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

m/z_856.5487

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 0.2)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 0.5)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 6.2)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 1.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 1.1)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 2.1)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

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

Formula: C49H78NO9P (855.5414)
Adducts: [M+H]+ (Ppm: 1)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description