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 717.1224
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000015645 Unreliable 717.1231 717.123 ~ 717.1231
MzDiff: 0.4 ppm
(2s,3s,4s,5r,6s)-6-{[2-(4-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (BioDeep_00002077303)
Formula: C30H30O19 (694.1381)
3.8 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000011174 Unreliable 717.1153 717.1153 ~ 717.1153
MzDiff: none
Loropetalin D (BioDeep_00000242943)
Formula: C35H28O19 (752.1225)
1.85 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011158 Unreliable 717.1224 717.1224 ~ 717.1224
MzDiff: none
Lemon (BioDeep_00000185316)
Formula: C36H32Cl4N6O4 (752.1239)
1.88 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000054068 Unreliable 717.1291 717.1291 ~ 717.1291
MzDiff: 0.3 ppm
[(2s,3r,4s,5s,6s)-4,5-dihydroxy-2-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-7-oxo-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid (BioDeep_00002195795)
Formula: C29H34O20S (734.1364)
3.49 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000011154 Unreliable 717.1299 717.1299 ~ 717.1299
MzDiff: none
(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706)
Formula: C31H44Br2O10 (734.1301)
1.89 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010035 Unreliable 717.128 717.1279 ~ 717.128
MzDiff: 0.0 ppm
(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706)
Formula: C31H44Br2O10 (734.1301)
0.67 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000009469 Unavailable 717.1153 717.1153 ~ 717.1153
MzDiff: none
Loropetalin D (BioDeep_00000242943)
Formula: C35H28O19 (752.1225)
-0.49 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009484 Unavailable 717.1224 717.1224 ~ 717.1224
MzDiff: none
Lemon (BioDeep_00000185316)
Formula: C36H32Cl4N6O4 (752.1239)
-0.51 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000011811 Unreliable 717.128 717.128 ~ 717.128
MzDiff: 0.0 ppm
(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706)
Formula: C31H44Br2O10 (734.1301)
1.15 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000054595 Unreliable 717.1286 717.1286 ~ 717.1286
MzDiff: none
(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706)
Formula: C31H44Br2O10 (734.1301)
1.94 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000009481 Unavailable 717.1299 717.1299 ~ 717.1299
MzDiff: none
(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706)
Formula: C31H44Br2O10 (734.1301)
-0.51 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000038930 Unreliable 717.1229 717.1229 ~ 717.1229
MzDiff: none
Not Annotated 1.39 (%) Posidonia oceanica
[PO:0005059] root endodermis
MSI_000016365 Unreliable 717.1229 717.1229 ~ 717.1229
MzDiff: none
Loropetalin D (BioDeep_00000242943)
Formula: C35H28O19 (752.1225)
1.37 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000004228 Unreliable 717.1276 717.1276 ~ 717.1276
MzDiff: none
Not Annotated 0.86 (%) Homo sapiens
[UBERON:0002107] liver
MSI_000033410 Unreliable 717.1278 717.1278 ~ 717.1278
MzDiff: none
(2s,3s,4s,5r,6s)-6-{[2-(4-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (BioDeep_00002077303)
Formula: C30H30O19 (694.1381)
2.1 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000037293 Unreliable 717.1279 717.1279 ~ 717.1279
MzDiff: none
Not Annotated 1.94 (%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000040219 Unavailable 717.1291 717.1291 ~ 717.1291
MzDiff: none
[(2s,3r,4s,5s,6s)-4,5-dihydroxy-2-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-7-oxo-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid (BioDeep_00002195795)
Formula: C29H34O20S (734.1364)
-0.08 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 8 Sample Hits
Metabolite Species Sample
Lemon

Formula: C36H32Cl4N6O4 (752.1239)
Adducts: [M+H-2H2O]+ (Ppm: 17.2)
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.

(2s,3s,4s,5r,6s)-6-{[2-(4-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C30H30O19 (694.1381)
Adducts: [M+Na]+ (Ppm: 5.9)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

Loropetalin D

Formula: C35H28O19 (752.1225)
Adducts: [M+H-2H2O]+ (Ppm: 19.9)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

(2s,3s,4s,5r,6s)-6-{[2-(4-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C30H30O19 (694.1381)
Adducts: [M+Na]+ (Ppm: 6.1)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

m/z_717.1275

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

m/z_717.1229

Formula: - (n/a)
Adducts: (Ppm: )
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

Formula: C31H44Br2O10 (734.1301)
Adducts: [M+H-H2O]+ (Ppm: 2.5)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

m/z_717.1278

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