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 11 Reference Ions Near m/z 817.5817
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055528 Reliable 817.5815 817.5813 ~ 817.5819
MzDiff: 2.3 ppm
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276)
Formula: C47H80NO8P (817.5621)
11.02 (75%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046690 Reliable 817.5887 817.5887 ~ 817.5887
MzDiff: none
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431)
Formula: C45H85O10P (816.588)
3.68 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000047726 Unreliable 817.5817 817.5817 ~ 817.5817
MzDiff: none
SM(d18:1/6 keto-PGF1alpha) (BioDeep_00000215513)
Formula: C43H81N2O10P (816.5629)
2.15 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047733 Unreliable 817.574 817.574 ~ 817.574
MzDiff: none
PA(21:0/PGF2alpha) (BioDeep_00000190473)
Formula: C44H81O11P (816.5516)
2.15 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047736 Unreliable 817.5897 817.5897 ~ 817.5897
MzDiff: none
Not Annotated 2.14 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052321 Unreliable 817.5848 817.5848 ~ 817.5848
MzDiff: none
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431)
Formula: C45H85O10P (816.588)
2.19 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052346 Unreliable 817.5757 817.5757 ~ 817.5757
MzDiff: none
SM(d18:1/6 keto-PGF1alpha) (BioDeep_00000215513)
Formula: C43H81N2O10P (816.5629)
2.16 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000057885 Unreliable 817.5798 817.5798 ~ 817.5799
MzDiff: 0.5 ppm
PE(P-18:1(11Z)/PGE1) (BioDeep_00000185563)
Formula: C43H78NO10P (799.5363)
2.65 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065341 Unreliable 817.5798 817.5798 ~ 817.5798
MzDiff: none
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431)
Formula: C45H85O10P (816.588)
1.24 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000026769 Unreliable 817.5852 817.5852 ~ 817.5852
MzDiff: none
SM(d18:1/6 keto-PGF1alpha) (BioDeep_00000215513)
Formula: C43H81N2O10P (816.5629)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000055952 Unavailable 817.5824 817.5824 ~ 817.5824
MzDiff: none
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276)
Formula: C47H80NO8P (817.5621)
-0.42 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 27 Sample Hits
Metabolite Species Sample
SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 18.1)
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

SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 18.4)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 13.7)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 8)
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.

SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 14.2)
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).

SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 8.8)
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).

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 12.8)
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).

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 16.4)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(P-18:1(11Z)/PGE1)

Formula: C43H78NO10P (799.5363)
Adducts: [M+NH4]+ (Ppm: 11.8)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 4.8)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 6.7)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 6)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 3.8)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

SM(d18:1/6 keto-PGF1alpha)

Formula: C43H81N2O10P (816.5629)
Adducts: [M+H]+ (Ppm: 14.2)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 17)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 5)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H80NO8P (817.5621)
Adducts: [M-H2O+NH4]+ (Ppm: 4.8)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 18.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 18.1)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 18.9)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 18.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description