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 540.0611
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053616 Reliable 540.0663 540.0661 ~ 540.067
MzDiff: 3.8 ppm
4,12-dihydroxy-10-{[4'-(sulfooxy)-[1,1'-biphenyl]-3,3'-diyl]oxy}-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylic acid (BioDeep_00002280238)
Formula: C25H16O12S (540.0362)
7.18 (89%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000010498 Unavailable 540.0664 540.0664 ~ 540.0664
MzDiff: 0.2 ppm
Alamifovir (BioDeep_00000175819)
Formula: C19H20F6N5O5PS (575.0827)
-1.59 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000054854 Unreliable 540.0667 540.0662 ~ 540.067
MzDiff: 3.1 ppm
Alamifovir (BioDeep_00000175819)
Formula: C19H20F6N5O5PS (575.0827)
1.69 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000012249 Unavailable 540.0664 540.0664 ~ 540.0664
MzDiff: 0.0 ppm
Alamifovir (BioDeep_00000175819)
Formula: C19H20F6N5O5PS (575.0827)
-1.06 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000012845 Unavailable 540.068 540.068 ~ 540.068
MzDiff: none
Alamifovir (BioDeep_00000175819)
Formula: C19H20F6N5O5PS (575.0827)
-0.49 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014084 Unavailable 540.068 540.068 ~ 540.068
MzDiff: none
Alamifovir (BioDeep_00000175819)
Formula: C19H20F6N5O5PS (575.0827)
-0.3 (100%) Plant
[PO:0005417] phloem
MSI_000014935 Unavailable 540.068 540.068 ~ 540.068
MzDiff: none
Alamifovir (BioDeep_00000175819)
Formula: C19H20F6N5O5PS (575.0827)
-0.49 (100%) Plant
[PO:0006036] root epidermis
MSI_000018343 Unreliable 540.068 540.068 ~ 540.068
MzDiff: none
Alamifovir (BioDeep_00000175819)
Formula: C19H20F6N5O5PS (575.0827)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000019940 Unavailable 540.068 540.068 ~ 540.068
MzDiff: none
Alamifovir (BioDeep_00000175819)
Formula: C19H20F6N5O5PS (575.0827)
-0.5 (100%) Plant
[PO:0025197] stele
MSI_000051464 Unreliable 540.0662 540.0662 ~ 540.0662
MzDiff: none
Alamifovir (BioDeep_00000175819)
Formula: C19H20F6N5O5PS (575.0827)
0 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000065860 Unreliable 540.054 540.054 ~ 540.054
MzDiff: none
I-Abopx (BioDeep_00000179890)
Formula: C23H22IN5O5 (575.0666)
1.62 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 9 Sample Hits
Metabolite Species Sample
Alamifovir

Formula: C19H20F6N5O5PS (575.0827)
Adducts: [M+H-2H2O]+ (Ppm: 10.3)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

(5s,10r)-7,9-dibromo-10-hydroxy-n-[(2z)-3-(2-imino-1,3-dihydroimidazol-4-yl)prop-2-en-1-yl]-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

Formula: C16H17Br2N5O4 (500.9647)
Adducts: [M+K]+ (Ppm: 6.7)
Posidonia oceanica (root)
20190822_MS1_A19r-19
Resolution: 17μm, 303x309

Description

Seagrasses are among the most efficient sinks of carbon dioxide on Earth. While carbon sequestration in terrestrial plants is linked to the microorganisms living in their soils, the interactions of seagrasses with their rhizospheres are poorly understood. Here, we show that the seagrass, Posidonia oceanica excretes sugars, mainly sucrose, into its rhizosphere. These sugars accumulate to µM concentrations—nearly 80 times higher than previously observed in marine environments. This finding is unexpected as sugars are readily consumed by microorganisms. Our experiments indicated that under low oxygen conditions, phenolic compounds from P. oceanica inhibited microbial consumption of sucrose. Analyses of the rhizosphere community revealed that many microbes had the genes for degrading sucrose but these were only expressed by a few taxa that also expressed genes for degrading phenolics. Given that we observed high sucrose concentrations underneath three other species of marine plants, we predict that the presence of plant-produced phenolics under low oxygen conditions allows the accumulation of labile molecules across aquatic rhizospheres.

Alamifovir

Formula: C19H20F6N5O5PS (575.0827)
Adducts: [M+H-2H2O]+ (Ppm: 17.5)
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).

m/z_540.0652

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

I-Abopx

Formula: C23H22IN5O5 (575.0666)
Adducts: [M+H-2H2O]+ (Ppm: 16.5)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

I-Abopx

Formula: C23H22IN5O5 (575.0666)
Adducts: [M+H-2H2O]+ (Ppm: 15.4)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

I-Abopx

Formula: C23H22IN5O5 (575.0666)
Adducts: [M+H-2H2O]+ (Ppm: 15.5)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

Alamifovir

Formula: C19H20F6N5O5PS (575.0827)
Adducts: [M+H-2H2O]+ (Ppm: 16.7)
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).

L-Alanine, N-(2,6-dichloro-4-(((3-(2-furanyl)-1-oxo-2-propenyl)amino)methyl)benzoyl)-3-(((4R)-4-thiazolidinylcarbonyl)amino)-

Formula: C22H22Cl2N4O6S (540.0637)
Adducts: [M]+ (Ppm: 2.3)
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).