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 17 Reference Ions Near m/z 448.0144
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053873 Reliable 448.0145 448.014 ~ 448.0149
MzDiff: 3.6 ppm
2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid (BioDeep_00002233959)
Formula: C13H17BrN6O5S (448.0164)
4.03 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000010831 Unreliable 448.0045 448.0045 ~ 448.0045
MzDiff: none
{6,18,19-trihydroxy-10,14-dioxo-9,15-dioxa-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3(8),4,6,16(21),17,19-octaen-5-yl}oxidanesulfonic acid (BioDeep_00002174342)
Formula: C18H9NO11S (446.9896)
3.11 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010875 Unreliable 448.0136 448.0136 ~ 448.0136
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
3.01 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011011 Unreliable 448.0207 448.0207 ~ 448.0207
MzDiff: none
Caespitol (BioDeep_00000011562)
Formula: C15H25Br2ClO2 (429.991)
2.63 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000032568 Unreliable 448.0145 448.014 ~ 448.0149
MzDiff: 3.6 ppm
2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid (BioDeep_00002233959)
Formula: C13H17BrN6O5S (448.0164)
1.33 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000009584 Unavailable 448.0136 448.0136 ~ 448.0136
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
-0.99 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009597 Unavailable 448.0207 448.0207 ~ 448.0207
MzDiff: none
Caespitol (BioDeep_00000011562)
Formula: C15H25Br2ClO2 (429.991)
-1.04 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009613 Unavailable 448.0045 448.0045 ~ 448.0045
MzDiff: none
{6,18,19-trihydroxy-10,14-dioxo-9,15-dioxa-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3(8),4,6,16(21),17,19-octaen-5-yl}oxidanesulfonic acid (BioDeep_00002174342)
Formula: C18H9NO11S (446.9896)
-1.11 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000025812 Unreliable 448.0143 448.014 ~ 448.0146
MzDiff: 2.4 ppm
Dinitrostilbenedisulfonic acid (BioDeep_00000172725)
Formula: C14H10N2O10S2 (429.9777)
4.1 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000013280 Unavailable 448.0146 448.0146 ~ 448.0146
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
-0.92 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013441 Unreliable 448.0146 448.0146 ~ 448.0146
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
1.14 (100%) Plant
[PO:0005417] phloem
MSI_000018871 Unreliable 448.0146 448.0146 ~ 448.0146
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
1 (100%) Plant
[PO:0020124] root stele
MSI_000019778 Unavailable 448.0146 448.0146 ~ 448.0146
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
-0.38 (100%) Plant
[PO:0025197] stele
MSI_000033643 Unreliable 448.014 448.014 ~ 448.014
MzDiff: none
2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid (BioDeep_00002233959)
Formula: C13H17BrN6O5S (448.0164)
1.19 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000038003 Unavailable 448.0147 448.0147 ~ 448.0147
MzDiff: none
2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid (BioDeep_00002233959)
Formula: C13H17BrN6O5S (448.0164)
-0.21 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000040445 Unavailable 448.0147 448.0147 ~ 448.0147
MzDiff: none
2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid (BioDeep_00002233959)
Formula: C13H17BrN6O5S (448.0164)
-0.21 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000049977 Unreliable 448.0144 448.0144 ~ 448.0144
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
1.28 (100%) Mytilus edulis
[UBERON:0009120] gill filament

Found 17 Sample Hits
Metabolite Species Sample
4,4-dinitrostilbene-2,2-disulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 4.7)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

4,4-dinitrostilbene-2,2-disulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 6.9)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

Dinitrostilbenedisulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 6)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

Dinitrostilbenedisulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 5.6)
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

Dinitrostilbenedisulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 5.3)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). 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-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). 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. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

Dinitrostilbenedisulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 6.9)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid

Formula: C13H17BrN6O5S (448.0164)
Adducts: [M]+ (Ppm: 4.2)
Posidonia oceanica (root)
20190614_MS1_A19r-20
Resolution: 17μm, 262x276

Description

Seagrasses are one of the most efficient natural sinks of carbon dioxide (CO2) on Earth. Despite covering less than 0.1% of coastal regions, they have the capacity to bury up to 10% of marine organic matter and can bury the same amount of carbon 35 times faster than tropical rainforests. On land, the soil’s ability to sequestrate carbon is intimately linked to microbial metabolism. Despite the growing attention to the link between plant production, microbial communities, and the carbon cycle in terrestrial ecosystems, these processes remain enigmatic in the sea. Here, we show that seagrasses excrete organic sugars, namely in the form of sucrose, into their rhizospheres. Surprisingly, the microbial communities living underneath meadows do not fully use this sugar stock in their metabolism. Instead, sucrose piles up in the sediments to mM concentrations underneath multiple types of seagrass meadows. Sediment incubation experiments show that microbial communities living underneath a meadow use sucrose at low metabolic rates. Our metagenomic analyses revealed that the distinct community of microorganisms occurring underneath meadows is limited in their ability to degrade simple sugars, which allows these compounds to persist in the environment over relatively long periods of time. Our findings reveal how seagrasses form blue carbon stocks despite the relatively small area they occupy. Unfortunately, anthropogenic disturbances are threatening the long-term persistence of seagrass meadows. Given that these sediments contain a large stock of sugars that heterotopic bacteria can degrade, it is even more important to protect these ecosystems from degradation.

2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid

Formula: C13H17BrN6O5S (448.0164)
Adducts: [M]+ (Ppm: 3.3)
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.

2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid

Formula: C13H17BrN6O5S (448.0164)
Adducts: [M]+ (Ppm: 2.2)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid

Formula: C13H17BrN6O5S (448.0164)
Adducts: [M]+ (Ppm: 2.7)
Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid

Formula: C13H17BrN6O5S (448.0164)
Adducts: [M]+ (Ppm: 2.7)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

hydroxytyrosol acetate sulphate

Formula: C13H15NO13S (425.0264)
Adducts: [M+Na]+ (Ppm: 2.5)
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).

4,4-dinitrostilbene-2,2-disulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 7.3)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

4,4-dinitrostilbene-2,2-disulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 6.4)
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

4,4-dinitrostilbene-2,2-disulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 7.1)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

Dinitrostilbenedisulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 3.2)
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).

Dinitrostilbenedisulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 5.8)
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