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 426.0817
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011217 Unreliable 426.0914 426.0914 ~ 426.0914
MzDiff: none
Hydroxanthommatin (BioDeep_00000005220)
Formula: C20H15N3O8 (425.0859)
1.76 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011226 Unreliable 426.0835 426.0835 ~ 426.0835
MzDiff: none
Cysteineglutathione disulfide (BioDeep_00000005858)
Formula: C13H22N4O8S2 (426.0879)
1.74 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011246 Unreliable 426.0752 426.0752 ~ 426.0752
MzDiff: none
toltrazuril (BioDeep_00000015204)
Formula: C18H14F3N3O4S (425.0657)
1.67 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000053984 Unreliable 426.0821 426.0821 ~ 426.0821
MzDiff: 0.0 ppm
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
3.67 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000009468 Unavailable 426.0752 426.0752 ~ 426.0752
MzDiff: none
toltrazuril (BioDeep_00000015204)
Formula: C18H14F3N3O4S (425.0657)
-0.49 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009470 Unavailable 426.0835 426.0835 ~ 426.0835
MzDiff: none
Cysteineglutathione disulfide (BioDeep_00000005858)
Formula: C13H22N4O8S2 (426.0879)
-0.49 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009537 Unavailable 426.0914 426.0914 ~ 426.0914
MzDiff: none
Hydroxanthommatin (BioDeep_00000005220)
Formula: C20H15N3O8 (425.0859)
-0.83 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000866 Unavailable 426.0914 426.0914 ~ 426.0914
MzDiff: none
Hydroxanthommatin (BioDeep_00000005220)
Formula: C20H15N3O8 (425.0859)
-0.66 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000901 Unavailable 426.0835 426.0835 ~ 426.0835
MzDiff: none
Cysteineglutathione disulfide (BioDeep_00000005858)
Formula: C13H22N4O8S2 (426.0879)
-0.77 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000914 Unavailable 426.0752 426.0752 ~ 426.0752
MzDiff: none
toltrazuril (BioDeep_00000015204)
Formula: C18H14F3N3O4S (425.0657)
-0.8 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000003883 Unreliable 426.0815 426.0815 ~ 426.0815
MzDiff: none
2-Sulfamoyl-5-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzoic acid (BioDeep_00000175808)
Formula: C18H14F3N3O4S (425.0657)
1.41 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000012701 Unavailable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
-0.38 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014172 Unavailable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
-0.37 (100%) Plant
[PO:0005417] phloem
MSI_000014998 Unavailable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
-0.52 (100%) Plant
[PO:0006036] root epidermis
MSI_000018309 Unreliable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000020047 Unavailable 426.0818 426.0818 ~ 426.0818
MzDiff: none
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate (BioDeep_00000180993)
Formula: C22H21Cl2N3O4 (461.0909)
-0.52 (100%) Plant
[PO:0025197] stele
MSI_000033878 Unreliable 426.0814 426.0814 ~ 426.0814
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
0.33 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035451 Unreliable 426.0814 426.0814 ~ 426.0814
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
0.11 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037117 Unreliable 426.0818 426.0818 ~ 426.0818
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
2.04 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000039981 Unreliable 426.0821 426.0821 ~ 426.0821
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
0.29 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 10 Sample Hits
Metabolite Species Sample
Cysteineglutathione disulfide

Formula: C13H22N4O8S2 (426.0879)
Adducts: [M]+ (Ppm: 9)
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.

2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate

Formula: C22H21Cl2N3O4 (461.0909)
Adducts: [M+H-2H2O]+ (Ppm: 11.1)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

2-Sulfamoyl-5-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzoic acid

Formula: C18H14F3N3O4S (425.0657)
Adducts: [M+H]+ (Ppm: 20)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one

Formula: C21H14O10 (426.0587)
Adducts: [M-H2O+NH4]+ (Ppm: 1.3)
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.

(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one

Formula: C21H14O10 (426.0587)
Adducts: [M-H2O+NH4]+ (Ppm: 0.6)
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.

(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one

Formula: C21H14O10 (426.0587)
Adducts: [M-H2O+NH4]+ (Ppm: 0.3)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one

Formula: C21H14O10 (426.0587)
Adducts: [M-H2O+NH4]+ (Ppm: 0.4)
Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one

Formula: C21H14O10 (426.0587)
Adducts: [M-H2O+NH4]+ (Ppm: 0.3)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

toltrazuril

Formula: C18H14F3N3O4S (425.0657)
Adducts: [M+H]+ (Ppm: 4.2)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate

Formula: C22H21Cl2N3O4 (461.0909)
Adducts: [M+H-2H2O]+ (Ppm: 10.4)
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