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 9 Reference Ions Near m/z 689.5625
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058325 Reliable 689.5533 689.5531 ~ 689.5535
MzDiff: 2.0 ppm
SM(d18:1/15:0) (BioDeep_00000169946)
Formula: C38H77N2O6P (688.5519)
4.88 (75%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058176 Reliable 689.5594 689.559 ~ 689.5598
MzDiff: 3.1 ppm
SM(d18:1/15:0) (BioDeep_00000169946)
Formula: C38H77N2O6P (688.5519)
4.95 (57%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065188 Reliable 689.5526 689.5524 ~ 689.5528
MzDiff: 1.6 ppm
SM(d18:1/15:0) (BioDeep_00000169946)
Formula: C38H77N2O6P (688.5519)
5.02 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056872 Unreliable 689.5527 689.5523 ~ 689.5529
MzDiff: 2.1 ppm
SM(d18:1/15:0) (BioDeep_00000169946)
Formula: C38H77N2O6P (688.5519)
1.59 (75%) Homo sapiens
[UBERON:0007779] transudate
MSI_000065270 Unreliable 689.5604 689.5602 ~ 689.5605
MzDiff: 1.4 ppm
DG(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0) (BioDeep_00000221310)
Formula: C43H78O7 (706.5747)
4.13 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043058 Unreliable 689.5584 689.5581 ~ 689.5586
MzDiff: 2.2 ppm
SM(d18:1/15:0) (BioDeep_00000169946)
Formula: C38H77N2O6P (688.5519)
3.98 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055586 Unreliable 689.5546 689.5545 ~ 689.5546
MzDiff: 0.2 ppm
SM(d18:1/15:0) (BioDeep_00000169946)
Formula: C38H77N2O6P (688.5519)
2.22 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058385 Unreliable 689.5597 689.5596 ~ 689.5598
MzDiff: 0.8 ppm
SM(d18:1/15:0) (BioDeep_00000169946)
Formula: C38H77N2O6P (688.5519)
0.77 (50%) Homo sapiens
[UBERON:0007779] transudate
MSI_000055931 Unavailable 689.5545 689.5545 ~ 689.5545
MzDiff: none
SM(d18:1/15:0) (BioDeep_00000169946)
Formula: C38H77N2O6P (688.5519)
-0.39 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 21 Sample Hits
Metabolite Species Sample
SM(d18:1/15:0)

Formula: C38H77N2O6P (688.5519)
Adducts: [M+H]+ (Ppm: 5.8)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

SM(d18:1/15:0)

Formula: C38H77N2O6P (688.5519)
Adducts: [M+H]+ (Ppm: 1.6)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

SM(d18:1/15:0)

Formula: C38H77N2O6P (688.5519)
Adducts: [M+H]+ (Ppm: 0.8)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

SM(d18:1/15:0)

Formula: C38H77N2O6P (688.5519)
Adducts: [M+H]+ (Ppm: 4.7)
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.

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

Formula: C43H76O6 (688.5642)
Adducts: [M+H]+ (Ppm: 8.5)
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).

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

Formula: C43H76O6 (688.5642)
Adducts: [M+H]+ (Ppm: 11.5)
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).

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

Formula: C43H76O6 (688.5642)
Adducts: [M+H]+ (Ppm: 12.1)
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(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)/0:0)

Formula: C43H76O6 (688.5642)
Adducts: [M+H]+ (Ppm: 9.3)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

DG(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)

Formula: C43H78O7 (706.5747)
Adducts: [M+H-H2O]+ (Ppm: 15.4)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

SM(d18:1/15:0)

Formula: C38H77N2O6P (688.5519)
Adducts: [M+H]+ (Ppm: 0.9)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

SM(d18:1/15:0)

Formula: C38H77N2O6P (688.5519)
Adducts: [M+H]+ (Ppm: 5.8)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

DG(20:0/PGF1alpha/0:0)

Formula: C43H80O8 (724.5853)
Adducts: [M+H-2H2O]+ (Ppm: 18)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

SM(d18:1/15:0)

Formula: C38H77N2O6P (688.5519)
Adducts: [M+H]+ (Ppm: 0.5)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

SM(d18:1/15:0)

Formula: C38H77N2O6P (688.5519)
Adducts: [M+H]+ (Ppm: 4.8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

DG(20:0/PGF1alpha/0:0)

Formula: C43H80O8 (724.5853)
Adducts: [M+H-2H2O]+ (Ppm: 15.1)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

DG(20:0/PGF1alpha/0:0)

Formula: C43H80O8 (724.5853)
Adducts: [M+H-2H2O]+ (Ppm: 17.2)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

DG(20:0/PGF1alpha/0:0)

Formula: C43H80O8 (724.5853)
Adducts: [M+H-2H2O]+ (Ppm: 18.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

DG(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)

Formula: C43H78O7 (706.5747)
Adducts: [M+H-H2O]+ (Ppm: 16.3)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

DG(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)

Formula: C43H78O7 (706.5747)
Adducts: [M+H-H2O]+ (Ppm: 15.9)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

DG(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)

Formula: C43H78O7 (706.5747)
Adducts: [M+H-H2O]+ (Ppm: 16.6)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description

SM(d18:1/15:0)

Formula: C38H77N2O6P (688.5519)
Adducts: [M+H]+ (Ppm: 0)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB