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 723.4737
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058186 Reliable 723.4786 723.4782 ~ 723.479
MzDiff: 3.2 ppm
1,26-Dicaffeoylhexacosanediol (BioDeep_00000020643)
Formula: C44H66O8 (722.4757)
5.53 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055600 Reliable 723.4796 723.4796 ~ 723.4797
MzDiff: 0.5 ppm
1,26-Dicaffeoylhexacosanediol (BioDeep_00000020643)
Formula: C44H66O8 (722.4757)
4.57 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047123 Unreliable 723.4812 723.4812 ~ 723.4812
MzDiff: none
Not Annotated 2.76 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051933 Unreliable 723.4777 723.4777 ~ 723.4777
MzDiff: none
Not Annotated 2.38 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052373 Unreliable 723.4723 723.4723 ~ 723.4723
MzDiff: none
norerythromycin (BioDeep_00000054431)
Formula: C35H63NO13 (705.4299)
2.13 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000053097 Unreliable 723.4735 723.4735 ~ 723.4735
MzDiff: none
PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000188234)
Formula: C40H67O9P (722.4522)
2.97 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000065567 Unreliable 723.4791 723.4791 ~ 723.4791
MzDiff: none
Fasciculol F (BioDeep_00000013155)
Formula: C39H65NO11 (723.4557)
1.32 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000002838 Unavailable 723.4737 723.4737 ~ 723.4737
MzDiff: none
PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000188234)
Formula: C40H67O9P (722.4522)
-0.46 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003472 Unavailable 723.4737 723.4737 ~ 723.4737
MzDiff: none
PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000188234)
Formula: C40H67O9P (722.4522)
-0.48 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004751 Unreliable 723.4737 723.4737 ~ 723.4737
MzDiff: none
PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000188234)
Formula: C40H67O9P (722.4522)
2.26 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005715 Unavailable 723.4737 723.4737 ~ 723.4737
MzDiff: none
PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000188234)
Formula: C40H67O9P (722.4522)
-0.51 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000028847 Unreliable 723.4837 723.4837 ~ 723.4837
MzDiff: none
Fasciculol F (BioDeep_00000013155)
Formula: C39H65NO11 (723.4557)
0.27 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029759 Unavailable 723.4837 723.4837 ~ 723.4837
MzDiff: none
Fasciculol F (BioDeep_00000013155)
Formula: C39H65NO11 (723.4557)
-0.22 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030418 Unreliable 723.478 723.478 ~ 723.478
MzDiff: none
Not Annotated 1.8 (0%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030536 Unreliable 723.4715 723.4715 ~ 723.4715
MzDiff: none
PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000188234)
Formula: C40H67O9P (722.4522)
1.59 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031127 Unreliable 723.4837 723.4837 ~ 723.4837
MzDiff: none
Fasciculol F (BioDeep_00000013155)
Formula: C39H65NO11 (723.4557)
2.34 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031242 Unreliable 723.4715 723.4715 ~ 723.4715
MzDiff: none
PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000188234)
Formula: C40H67O9P (722.4522)
1.67 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031290 Unreliable 723.478 723.478 ~ 723.478
MzDiff: none
Not Annotated 1.42 (0%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000056355 Unavailable 723.4802 723.4802 ~ 723.4802
MzDiff: none
1,26-Dicaffeoylhexacosanediol (BioDeep_00000020643)
Formula: C44H66O8 (722.4757)
-0.75 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 14 Sample Hits
Metabolite Species Sample
PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C40H67O9P (722.4522)
Adducts: [M+H]+ (Ppm: 19.6)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C40H67O9P (722.4522)
Adducts: [M+H]+ (Ppm: 16.6)
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

Fasciculol F

Formula: C39H65NO11 (723.4557)
Adducts: [M-H2O+NH4]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PE(14:1(9Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C39H66NO9P (723.4475)
Adducts: [M-H2O+NH4]+ (Ppm: 1.9)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Prephytoene diphosphate

Formula: C40H68O7P2 (722.444)
Adducts: [M+H]+ (Ppm: 18.7)
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.

PA(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C40H67O9P (722.4522)
Adducts: [M+H]+ (Ppm: 19.3)
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).

norerythromycin

Formula: C35H63NO13 (705.4299)
Adducts: [M+NH4]+ (Ppm: 11.8)
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).

norerythromycin

Formula: C35H63NO13 (705.4299)
Adducts: [M+NH4]+ (Ppm: 17.9)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(14:1(9Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C39H66NO9P (723.4475)
Adducts: [M-H2O+NH4]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

1,26-Dicaffeoylhexacosanediol

Formula: C44H66O8 (722.4757)
Adducts: [M+H]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

1,26-Dicaffeoylhexacosanediol

Formula: C44H66O8 (722.4757)
Adducts: [M+H]+ (Ppm: 6.4)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

1,26-Dicaffeoylhexacosanediol

Formula: C44H66O8 (722.4757)
Adducts: [M+H]+ (Ppm: 5.7)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Fasciculol F

Formula: C39H65NO11 (723.4557)
Adducts: [M-H2O+NH4]+ (Ppm: 0.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Fasciculol F

Formula: C39H65NO11 (723.4557)
Adducts: [M-H2O+NH4]+ (Ppm: 1.1)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description