M/Z: 632.343

Hit 2 annotations: n-[(2s)-1-oxo-1-{[(8z,10z,16z)-3,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl]benzenecarboximidic acid_[M-H2O+NH4]+; Coagulin R 3-glucoside_[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 12 Reference Ions Near m/z 632.343

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000011644 Unavailable	632.3362	632.3362 ~ 632.3362 MzDiff: `none`	Not Annotated	-1.79 (0%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011634 Unavailable	632.343	632.343 ~ 632.343 MzDiff: `none`	n-[(2s)-1-oxo-1-{[(8z,10z,16z)-3,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl]benzenecarboximidic acid (BioDeep_00002238382) Formula: C36H44N2O8 (632.3098)	-1.71 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000025810 Unreliable	632.3513	632.351 ~ 632.3515 MzDiff: `1.8 ppm`	Neomycin (BioDeep_00000003472) Formula: C23H46N6O13 (614.3123)	2.08 (50%)	Mus musculus [UBERON:0000913] interstitial fluid
MSI_000011620 Unavailable	632.352	632.352 ~ 632.352 MzDiff: `none`	Neomycin (BioDeep_00000003472) Formula: C23H46N6O13 (614.3123)	-1.52 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000027625 Unreliable	632.3353	632.3352 ~ 632.3353 MzDiff: `0.5 ppm`	4-Hydroxy-17beta-estradiol-2-S-glutathione (BioDeep_00000054045) Formula: C28H39N3O9S (593.2407)	2.05 (50%)	Mus musculus [UBERON:0002048] lung
MSI_000009145 Unreliable	632.3362	632.3362 ~ 632.3362 MzDiff: `none`	Not Annotated	3.04 (0%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009182 Unreliable	632.343	632.343 ~ 632.343 MzDiff: `none`	n-[(2s)-1-oxo-1-{[(8z,10z,16z)-3,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl]benzenecarboximidic acid (BioDeep_00002238382) Formula: C36H44N2O8 (632.3098)	3 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000027020 Unreliable	632.3513	632.3511 ~ 632.3515 MzDiff: `1.6 ppm`	Neomycin (BioDeep_00000003472) Formula: C23H46N6O13 (614.3123)	1.78 (50%)	Mus musculus [UBERON:0002048] lung
MSI_000009222 Unreliable	632.352	632.352 ~ 632.352 MzDiff: `none`	Neomycin (BioDeep_00000003472) Formula: C23H46N6O13 (614.3123)	2.85 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000000711 Unavailable	632.3362	632.3362 ~ 632.3362 MzDiff: `none`	Not Annotated	-0.56 (0%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000867 Unavailable	632.343	632.343 ~ 632.343 MzDiff: `none`	n-[(2s)-1-oxo-1-{[(8z,10z,16z)-3,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl]benzenecarboximidic acid (BioDeep_00002238382) Formula: C36H44N2O8 (632.3098)	-0.67 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000904 Unavailable	632.352	632.352 ~ 632.352 MzDiff: `none`	Neomycin (BioDeep_00000003472) Formula: C23H46N6O13 (614.3123)	-0.77 (100%)	Mus musculus [CL:0000066] epithelial cell

Found 2 Sample Hits

Metabolite	Species	Sample
n-[(2s)-1-oxo-1-{[(8z,10z,16z)-3,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl]benzenecarboximidic acid Formula: C36H44N2O8 (632.3098) Adducts: [M-H2O+NH4]+ (Ppm: 15.8)	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.
Coagulin R 3-glucoside Formula: C34H48O11 (632.3196) Adducts: [M-H2O+NH4]+ (Ppm: 4.4)	Homo sapiens (esophagus)	LNTO22_1_4 Resolution: 17μm, 82x80 Description

Metabolite

Species

Sample

n-[(2s)-1-oxo-1-{[(8z,10z,16z)-3,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl]benzenecarboximidic acid

Formula: C36H44N2O8 (632.3098)
Adducts: [M-H2O+NH4]+ (Ppm: 15.8)

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.

Coagulin R 3-glucoside

Formula: C34H48O11 (632.3196)
Adducts: [M-H2O+NH4]+ (Ppm: 4.4)

Homo sapiens (esophagus)

LNTO22_1_4

Resolution: 17μm, 82x80

Description