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 13 Reference Ions Near m/z 819.518
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043692 Reliable 819.5205 819.5203 ~ 819.5209
MzDiff: 2.4 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
10.05 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043179 Reliable 819.5187 819.5181 ~ 819.519
MzDiff: 3.7 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
11.06 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047173 Unreliable 819.5177 819.5177 ~ 819.5177
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
2.63 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047175 Unreliable 819.5257 819.5257 ~ 819.5257
MzDiff: none
PA(20:0/6 keto-PGF1alpha) (BioDeep_00000189640)
Formula: C43H79O12P (818.5309)
2.63 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047200 Unreliable 819.51 819.51 ~ 819.51
MzDiff: none
PE(18:2(9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000186466)
Formula: C45H74NO10P (819.505)
2.58 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051779 Unreliable 819.5123 819.5123 ~ 819.5123
MzDiff: none
PG(16:0/PGE2) (BioDeep_00000193575)
Formula: C42H75O13P (818.4945)
2.46 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051850 Unreliable 819.5184 819.5184 ~ 819.5184
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
2.41 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065440 Unreliable 819.5185 819.5185 ~ 819.5187
MzDiff: 0.8 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
2.75 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000026802 Unreliable 819.5094 819.5094 ~ 819.5094
MzDiff: 0.2 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
3.25 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000056706 Unreliable 819.5167 819.5166 ~ 819.5168
MzDiff: 0.8 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
2.94 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000049968 Unreliable 819.5127 819.5127 ~ 819.5127
MzDiff: none
Roxithromycin (BioDeep_00000230939)
Formula: C41H76N2O15 (836.5245)
1.3 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050659 Unreliable 819.5127 819.5127 ~ 819.5127
MzDiff: none
Roxithromycin (BioDeep_00000230939)
Formula: C41H76N2O15 (836.5245)
1.44 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000056203 Unavailable 819.5211 819.5211 ~ 819.5211
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 40 Sample Hits
Metabolite Species Sample
PE(18:2(9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C45H74NO10P (819.505)
Adducts: [M-H2O+NH4]+ (Ppm: 12.5)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

Digoxin

Formula: C41H64O14 (780.4296)
Adducts: [M+K]+ (Ppm: 12.5)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 5.7)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 4)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 0.4)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 9.5)
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.

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 3)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 3.8)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 4.3)
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).

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 9.8)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 4.9)
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).

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 3.5)
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).

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 1)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 0.2)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 0.9)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 5.4)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.6)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 1.2)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 3.1)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 3)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.6)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 0.8)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 1.2)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 1.8)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 1.8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 1)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 1.2)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.6)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 3.1)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 3.4)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M+H-H2O]+ (Ppm: 2.8)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description