M/Z: 853.1381

Hit 1 annotations: Malonyl-CoA_[M-H2O+NH4]+

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 853.1381

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000011173 Unreliable	853.1287	853.1287 ~ 853.1287 MzDiff: `none`	3-[4-(2-{4-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-[1,1'-biphenyl]-2,2',4,4',6,6'-hexol (BioDeep_00002065963) Formula: C42H30O21 (870.128)	1.85 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011175 Unreliable	853.1381	853.1381 ~ 853.1381 MzDiff: `none`	Malonyl-CoA (BioDeep_00000001517) Formula: C24H38N7O19P3S (853.1156)	1.85 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011169 Unreliable	853.1475	853.1475 ~ 853.1475 MzDiff: `none`	CoA 4:0;O (BioDeep_00000630284) Formula: C25H42N7O18P3S (853.152)	1.86 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000010611 Unavailable	853.1438	853.1438 ~ 853.1438 MzDiff: `0.1 ppm`	Malonyl-CoA (BioDeep_00000001517) Formula: C24H38N7O19P3S (853.1156)	-2.04 (100%)	Bathymodiolus [UBERON:0009120] gill filament
MSI_000009490 Unavailable	853.1287	853.1287 ~ 853.1287 MzDiff: `none`	3-[4-(2-{4-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-[1,1'-biphenyl]-2,2',4,4',6,6'-hexol (BioDeep_00002065963) Formula: C42H30O21 (870.128)	-0.53 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009483 Unavailable	853.1381	853.1381 ~ 853.1381 MzDiff: `none`	Malonyl-CoA (BioDeep_00000001517) Formula: C24H38N7O19P3S (853.1156)	-0.51 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000012156 Unavailable	853.1438	853.1438 ~ 853.1438 MzDiff: `none`	Malonyl-CoA (BioDeep_00000001517) Formula: C24H38N7O19P3S (853.1156)	-0.96 (100%)	Bathymodiolus [UBERON:2000211] gill lamella
MSI_000054633 Unreliable	853.1443	853.1443 ~ 853.1443 MzDiff: `none`	Malonyl-CoA (BioDeep_00000001517) Formula: C24H38N7O19P3S (853.1156)	1.87 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000009487 Unavailable	853.1475	853.1475 ~ 853.1475 MzDiff: `none`	CoA 4:0;O (BioDeep_00000630284) Formula: C25H42N7O18P3S (853.152)	-0.52 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000000987 Unavailable	853.1287	853.1287 ~ 853.1287 MzDiff: `none`	3-[4-(2-{4-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-[1,1'-biphenyl]-2,2',4,4',6,6'-hexol (BioDeep_00002065963) Formula: C42H30O21 (870.128)	-0.89 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000997 Unavailable	853.1381	853.1381 ~ 853.1381 MzDiff: `none`	Malonyl-CoA (BioDeep_00000001517) Formula: C24H38N7O19P3S (853.1156)	-0.89 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000004339 Unreliable	853.1441	853.1441 ~ 853.1441 MzDiff: `none`	Malonyl-CoA (BioDeep_00000001517) Formula: C24H38N7O19P3S (853.1156)	0.75 (100%)	Homo sapiens [UBERON:0002107] liver
MSI_000000995 Unavailable	853.1475	853.1475 ~ 853.1475 MzDiff: `none`	CoA 4:0;O (BioDeep_00000630284) Formula: C25H42N7O18P3S (853.152)	-0.89 (100%)	Mus musculus [CL:0000066] epithelial cell

Found 2 Sample Hits

Metabolite	Species	Sample
Malonyl-CoA Formula: C24H38N7O19P3S (853.1156) Adducts: [M-H2O+NH4]+ (Ppm: 0.9)	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.
Malonyl-CoA Formula: C24H38N7O19P3S (853.1156) Adducts: [M-H2O+NH4]+ (Ppm: 5.9)	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

Metabolite

Species

Sample

Malonyl-CoA

Formula: C24H38N7O19P3S (853.1156)
Adducts: [M-H2O+NH4]+ (Ppm: 0.9)

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.

Malonyl-CoA

Formula: C24H38N7O19P3S (853.1156)
Adducts: [M-H2O+NH4]+ (Ppm: 5.9)

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