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 794.541
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043052 Reliable 794.5483 794.548 ~ 794.549
MzDiff: 4.0 ppm
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000029703)
Formula: C48H80NO8P (829.5621)
9.91 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043837 Unreliable 794.5368 794.5367 ~ 794.5369
MzDiff: 1.1 ppm
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656)
Formula: C44H76NO9P (793.5257)
4.22 (60%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047127 Unreliable 794.5485 794.5485 ~ 794.5485
MzDiff: none
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656)
Formula: C44H76NO9P (793.5257)
2.75 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047128 Unreliable 794.5411 794.5411 ~ 794.5411
MzDiff: none
PC(14:0/20:3(6,8,11)-OH(5)) (BioDeep_00000210678)
Formula: C42H78NO9P (771.5414)
2.75 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047172 Unreliable 794.5335 794.5335 ~ 794.5335
MzDiff: none
PS(16:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000206160)
Formula: C40H76NO12P (793.5105)
2.64 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052112 Unreliable 794.5364 794.5364 ~ 794.5364
MzDiff: none
PG(a-17:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195788)
Formula: C41H79O12P (794.5309)
2.32 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052335 Unreliable 794.544 794.544 ~ 794.544
MzDiff: none
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656)
Formula: C44H76NO9P (793.5257)
2.18 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000043522 Unreliable 794.5497 794.5497 ~ 794.5497
MzDiff: none
DG(19:0/LTE4/0:0) (BioDeep_00000221086)
Formula: C45H79NO8S (793.5526)
1.51 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055558 Unreliable 794.5385 794.5384 ~ 794.5385
MzDiff: 0.7 ppm
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656)
Formula: C44H76NO9P (793.5257)
2.65 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056717 Unreliable 794.5454 794.5452 ~ 794.5456
MzDiff: 1.7 ppm
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656)
Formula: C44H76NO9P (793.5257)
2.94 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065632 Unreliable 794.547 794.547 ~ 794.547
MzDiff: none
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656)
Formula: C44H76NO9P (793.5257)
1.61 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000002796 Unavailable 794.5458 794.5458 ~ 794.5458
MzDiff: none
PC(18:2/22:6) (BioDeep_00001979814)
Formula: C48H80NO8P (829.5621)
-0.44 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003446 Unavailable 794.5458 794.5458 ~ 794.5458
MzDiff: none
PC(18:2/22:6) (BioDeep_00001979814)
Formula: C48H80NO8P (829.5621)
-0.45 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004733 Unreliable 794.5458 794.5458 ~ 794.5458
MzDiff: none
PC(18:2/22:6) (BioDeep_00001979814)
Formula: C48H80NO8P (829.5621)
2.38 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005673 Unavailable 794.5458 794.5458 ~ 794.5458
MzDiff: none
PC(18:2/22:6) (BioDeep_00001979814)
Formula: C48H80NO8P (829.5621)
-0.45 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000055679 Unreliable 794.547 794.547 ~ 794.547
MzDiff: none
PG(a-17:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195788)
Formula: C41H79O12P (794.5309)
1.05 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056064 Unavailable 794.5384 794.5384 ~ 794.5384
MzDiff: none
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656)
Formula: C44H76NO9P (793.5257)
-0.53 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056789 Unreliable 794.5355 794.5355 ~ 794.5355
MzDiff: none
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656)
Formula: C44H76NO9P (793.5257)
2.01 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056840 Unreliable 794.5445 794.5445 ~ 794.5445
MzDiff: none
PG(a-17:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195788)
Formula: C41H79O12P (794.5309)
2.03 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000057609 Unreliable 794.5316 794.5316 ~ 794.5316
MzDiff: none
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol (BioDeep_00000023497)
Formula: C41H78O12S (794.5214)
0.78 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 26 Sample Hits
Metabolite Species Sample
PC(18:2/22:6)

Formula: C48H80NO8P (829.5621)
Adducts: [M+H-2H2O]+ (Ppm: 3.1)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 5.1)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 15.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H80NO8P (829.5621)
Adducts: [M+H-2H2O]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H80NO8P (829.5621)
Adducts: [M+H-2H2O]+ (Ppm: 1.3)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 1.5)
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.

PC(14:0/20:3(6,8,11)-OH(5))

Formula: C42H78NO9P (771.5414)
Adducts: [M+Na]+ (Ppm: 13.2)
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).

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 10)
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).

PG(a-17:0/18:1(12Z)-2OH(9,10))

Formula: C41H79O12P (794.5309)
Adducts: [M]+ (Ppm: 7.6)
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).

PG(a-17:0/18:1(12Z)-2OH(9,10))

Formula: C41H79O12P (794.5309)
Adducts: [M-H2O+NH4]+ (Ppm: 12.1)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 6.9)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 6.8)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PC(14:0/20:3(6,8,11)-OH(5))

Formula: C42H78NO9P (771.5414)
Adducts: [M+Na]+ (Ppm: 11.3)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol

Formula: C41H78O12S (794.5214)
Adducts: [M-H2O+NH4]+ (Ppm: 1.2)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 11.9)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 17.8)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 7.5)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PC(14:0/20:3(6,8,11)-OH(5))

Formula: C42H78NO9P (771.5414)
Adducts: [M+Na]+ (Ppm: 12.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 6.1)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 4.8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 6.3)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 5.9)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 3.4)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 18.9)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H76NO9P (793.5257)
Adducts: [M+H]+ (Ppm: 17.6)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description