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 12 Reference Ions Near m/z 518.9911
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000015736 Unreliable 518.9938 518.9937 ~ 518.9938
MzDiff: 0.3 ppm
(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 (BioDeep_00002240729)
Formula: C16H17Br2N5O4 (500.9647)
3.52 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000003028 Unavailable 518.9988 518.9988 ~ 518.9988
MzDiff: none
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (BioDeep_00000002560)
Formula: C22H21Cl2IN4O (554.0137)
-0.99 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003684 Unavailable 518.9988 518.9988 ~ 518.9988
MzDiff: none
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (BioDeep_00000002560)
Formula: C22H21Cl2IN4O (554.0137)
-1.14 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004941 Unavailable 518.9988 518.9988 ~ 518.9988
MzDiff: none
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (BioDeep_00000002560)
Formula: C22H21Cl2IN4O (554.0137)
-0.01 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005614 Unavailable 518.9988 518.9988 ~ 518.9988
MzDiff: none
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (BioDeep_00000002560)
Formula: C22H21Cl2IN4O (554.0137)
-0.14 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000013382 Unreliable 518.9931 518.9931 ~ 518.9931
MzDiff: none
(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 (BioDeep_00002240729)
Formula: C16H17Br2N5O4 (500.9647)
1.31 (100%) Plant
[PO:0005417] phloem
MSI_000015017 Unavailable 518.9931 518.9931 ~ 518.9931
MzDiff: none
(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 (BioDeep_00002240729)
Formula: C16H17Br2N5O4 (500.9647)
-0.52 (100%) Plant
[PO:0006036] root epidermis
MSI_000019039 Unavailable 518.9931 518.9931 ~ 518.9931
MzDiff: none
(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 (BioDeep_00002240729)
Formula: C16H17Br2N5O4 (500.9647)
-0.51 (100%) Plant
[PO:0020124] root stele
MSI_000019377 Unreliable 518.9931 518.9931 ~ 518.9931
MzDiff: none
(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 (BioDeep_00002240729)
Formula: C16H17Br2N5O4 (500.9647)
0.79 (100%) Plant
[PO:0025197] stele
MSI_000032251 Unreliable 518.9923 518.9923 ~ 518.9923
MzDiff: none
(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 (BioDeep_00002240729)
Formula: C16H17Br2N5O4 (500.9647)
1.5 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000049651 Unreliable 518.9915 518.9915 ~ 518.9915
MzDiff: none
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (BioDeep_00000002560)
Formula: C22H21Cl2IN4O (554.0137)
1.71 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050798 Unreliable 518.9915 518.9915 ~ 518.9915
MzDiff: none
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (BioDeep_00000002560)
Formula: C22H21Cl2IN4O (554.0137)
0.99 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 12 Sample Hits
Metabolite Species Sample
(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+NH4]+ (Ppm: 10.5)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide

Formula: C22H21Cl2IN4O (554.0137)
Adducts: [M+H-2H2O]+ (Ppm: 0.5)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

(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+NH4]+ (Ppm: 8.4)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

(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+NH4]+ (Ppm: 9.3)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

(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+NH4]+ (Ppm: 9.1)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

(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+NH4]+ (Ppm: 14.3)
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.

(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+NH4]+ (Ppm: 13.6)
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.

(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+NH4]+ (Ppm: 12)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

(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+NH4]+ (Ppm: 13.4)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide

Formula: C22H21Cl2IN4O (554.0137)
Adducts: [M+H-2H2O]+ (Ppm: 14.9)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide

Formula: C22H21Cl2IN4O (554.0137)
Adducts: [M+H-2H2O]+ (Ppm: 16.1)
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

1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide

Formula: C22H21Cl2IN4O (554.0137)
Adducts: [M+H-2H2O]+ (Ppm: 15.9)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description