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 8 Reference Ions Near m/z 788.5792
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000020699 Reliable 788.5866 788.5863 ~ 788.5869
MzDiff: 2.4 ppm
3,4-dihydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228813)
Formula: C52H77O4 (765.5822)
8.03 (50%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000020944 Unreliable 788.5787 788.5786 ~ 788.5787
MzDiff: 0.4 ppm
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589)
Formula: C45H77N2O7P (788.5468)
2.99 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000021266 Unreliable 788.5792 788.5791 ~ 788.5794
MzDiff: 1.6 ppm
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589)
Formula: C45H77N2O7P (788.5468)
5.03 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000007502 788.5816 788.5816 ~ 788.5816
MzDiff: none
3,4-dihydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228813)
Formula: C52H77O4 (765.5822)
1.87 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008829 788.5816 788.5816 ~ 788.5816
MzDiff: none
3,4-dihydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228813)
Formula: C52H77O4 (765.5822)
1.77 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000026905 Unreliable 788.5763 788.5763 ~ 788.5763
MzDiff: none
PE(20:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000186870)
Formula: C43H82NO9P (787.5727)
1.78 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000028274 Unreliable 788.5844 788.5844 ~ 788.5844
MzDiff: none
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589)
Formula: C45H77N2O7P (788.5468)
1.54 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000044330 Unreliable 788.5869 788.5869 ~ 788.5869
MzDiff: none
PE(20:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000186870)
Formula: C43H82NO9P (787.5727)
0.11 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 19 Sample Hits
Metabolite Species Sample
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 11.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 12.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

3,4-dihydroxy-5-all-trans-nonaprenylbenzoate

Formula: C52H77O4 (765.5822)
Adducts: [M+Na]+ (Ppm: 19.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

m/z_788.575

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

3,4-dihydroxy-5-all-trans-nonaprenylbenzoate

Formula: C52H77O4 (765.5822)
Adducts: [M+Na]+ (Ppm: 19.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 10.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 10.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 11.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 11.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 11.3)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 11.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 11.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

PE(20:0/18:1(12Z)-O(9S,10R))

Formula: C43H82NO9P (787.5727)
Adducts: [M+H]+ (Ppm: 4.6)
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.

SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H77N2O7P (788.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 18.2)
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

PE(18:3(6Z,9Z,12Z)/24:1(15Z))

Formula: C47H86NO8P (823.6091)
Adducts: [M+H-2H2O]+ (Ppm: 12.2)
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(22:1(13Z)/18:1(12Z)-2OH(9,10))

Formula: C43H81O10P (788.5567)
Adducts: [M-H2O+NH4]+ (Ppm: 1.3)
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).

PE(20:0/18:1(12Z)-O(9S,10R))

Formula: C43H82NO9P (787.5727)
Adducts: [M+H]+ (Ppm: 1.9)
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).

PE(20:0/18:1(12Z)-O(9S,10R))

Formula: C43H82NO9P (787.5727)
Adducts: [M+H]+ (Ppm: 5.4)
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(22:1(13Z)/18:1(12Z)-2OH(9,10))

Formula: C43H81O10P (788.5567)
Adducts: [M-H2O+NH4]+ (Ppm: 6.7)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description