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 13 Reference Ions Near m/z 381.0602
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053871 Reliable 381.0604 381.0602 ~ 381.0606
MzDiff: 1.8 ppm
10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one (BioDeep_00002162852)
Formula: C20H12O8 (380.0532)
4.05 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000018089 Unreliable 381.058 381.058 ~ 381.058
MzDiff: none
10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one (BioDeep_00002162852)
Formula: C20H12O8 (380.0532)
0.49 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000016604 Unreliable 381.0639 381.0637 ~ 381.064
MzDiff: 0.9 ppm
10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one (BioDeep_00002162852)
Formula: C20H12O8 (380.0532)
0.41 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000004170 Unreliable 381.0602 381.0602 ~ 381.0602
MzDiff: none
Sulfasalazine (BioDeep_00000002818)
Formula: C18H14N4O5S (398.0685)
0.94 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000012705 Unavailable 381.0603 381.0603 ~ 381.0603
MzDiff: none
Sulfasalazine (BioDeep_00000002818)
Formula: C18H14N4O5S (398.0685)
-0.39 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014203 Unavailable 381.0603 381.0603 ~ 381.0603
MzDiff: none
Sulfasalazine (BioDeep_00000002818)
Formula: C18H14N4O5S (398.0685)
-0.4 (100%) Plant
[PO:0005417] phloem
MSI_000014948 Unavailable 381.0603 381.0603 ~ 381.0603
MzDiff: none
Sulfasalazine (BioDeep_00000002818)
Formula: C18H14N4O5S (398.0685)
-0.5 (100%) Plant
[PO:0006036] root epidermis
MSI_000018263 Unreliable 381.0603 381.0603 ~ 381.0603
MzDiff: none
Sulfasalazine (BioDeep_00000002818)
Formula: C18H14N4O5S (398.0685)
1.79 (100%) Plant
[PO:0020124] root stele
MSI_000019952 Unavailable 381.0603 381.0603 ~ 381.0603
MzDiff: none
Sulfasalazine (BioDeep_00000002818)
Formula: C18H14N4O5S (398.0685)
-0.5 (100%) Plant
[PO:0025197] stele
MSI_000033575 Unreliable 381.06 381.06 ~ 381.06
MzDiff: none
10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one (BioDeep_00002162852)
Formula: C20H12O8 (380.0532)
1.61 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035677 Unavailable 381.06 381.06 ~ 381.06
MzDiff: none
10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one (BioDeep_00002162852)
Formula: C20H12O8 (380.0532)
-0.26 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037171 Unreliable 381.0602 381.0602 ~ 381.0602
MzDiff: none
10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one (BioDeep_00002162852)
Formula: C20H12O8 (380.0532)
2.03 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000040106 Unreliable 381.0605 381.0605 ~ 381.0605
MzDiff: none
10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one (BioDeep_00002162852)
Formula: C20H12O8 (380.0532)
0.05 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 13 Sample Hits
Metabolite Species Sample
Sulfasalazine

Formula: C18H14N4O5S (398.0685)
Adducts: [M+H-H2O]+ (Ppm: 12.9)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

Sulfasalazine

Formula: C18H14N4O5S (398.0685)
Adducts: [M+H-H2O]+ (Ppm: 13.1)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one

Formula: C20H12O8 (380.0532)
Adducts: [M+H]+ (Ppm: 8.4)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one

Formula: C20H12O8 (380.0532)
Adducts: [M+H]+ (Ppm: 9.2)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

Cimicoxib

Formula: C16H13ClFN3O3S (381.035)
Adducts: [M-H2O+NH4]+ (Ppm: 1.6)
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.

Cimicoxib

Formula: C16H13ClFN3O3S (381.035)
Adducts: [M-H2O+NH4]+ (Ppm: 1.6)
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.

10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one

Formula: C20H12O8 (380.0532)
Adducts: [M+H]+ (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.

10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one

Formula: C20H12O8 (380.0532)
Adducts: [M+H]+ (Ppm: 0.8)
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.

10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one

Formula: C20H12O8 (380.0532)
Adducts: [M+H]+ (Ppm: 0.3)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one

Formula: C20H12O8 (380.0532)
Adducts: [M+H]+ (Ppm: 0.8)
Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one

Formula: C20H12O8 (380.0532)
Adducts: [M+H]+ (Ppm: 0)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Sulfasalazine

Formula: C18H14N4O5S (398.0685)
Adducts: [M+H-H2O]+ (Ppm: 11.3)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

Sulfasalazine

Formula: C18H14N4O5S (398.0685)
Adducts: [M+H-H2O]+ (Ppm: 13.4)
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