M/Z: 798.4994

Hit 3 annotations: 3-[(5-{2-[5-({4-[2-(5-{[(2-carboxyacetyl)oxy]methyl}-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxolan-2-yl}oxy)oxolan-3-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]-3-oxopropanoic acid_[M]+; PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5))_[M+H]+; PE(15:0/PGF2alpha)_[M+Na]+

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 11 Reference Ions Near m/z 798.4994

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000009125 Unreliable	798.4965	798.4965 ~ 798.4965 MzDiff: `none`	3-[(5-{2-[5-({4-[2-(5-{[(2-carboxyacetyl)oxy]methyl}-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxolan-2-yl}oxy)oxolan-3-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]-3-oxopropanoic acid (BioDeep_00002158648) Formula: C46H70O11 (798.4918)	3.06 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009168 Unreliable	798.5048	798.5048 ~ 798.5048 MzDiff: `none`	PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000206152) Formula: C42H72NO11P (797.4843)	3.01 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000044072 Unreliable	798.4913	798.4913 ~ 798.4913 MzDiff: `none`	PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000206152) Formula: C42H72NO11P (797.4843)	1.56 (100%)	Rattus norvegicus [UBERON:0002264] olfactory bulb
MSI_000028310 Unreliable	798.4929	798.4929 ~ 798.4929 MzDiff: `none`	Not Annotated	1.43 (0%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000029549 Unreliable	798.4929	798.4929 ~ 798.4929 MzDiff: `none`	Not Annotated	0.44 (0%)	Macropus giganteus [UBERON:0002336] corpus callosum
MSI_000000784 Unavailable	798.4965	798.4965 ~ 798.4965 MzDiff: `none`	3-[(5-{2-[5-({4-[2-(5-{[(2-carboxyacetyl)oxy]methyl}-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxolan-2-yl}oxy)oxolan-3-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]-3-oxopropanoic acid (BioDeep_00002158648) Formula: C46H70O11 (798.4918)	-0.6 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000028642 Unreliable	798.4994	798.4994 ~ 798.4994 MzDiff: `none`	PE(15:0/PGF2alpha) (BioDeep_00000185804) Formula: C40H74NO11P (775.4999)	0.68 (100%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000029363 Unreliable	798.4994	798.4994 ~ 798.4994 MzDiff: `none`	PE(15:0/PGF2alpha) (BioDeep_00000185804) Formula: C40H74NO11P (775.4999)	1.16 (100%)	Macropus giganteus [UBERON:0002336] corpus callosum
MSI_000000645 Unavailable	798.5048	798.5048 ~ 798.5048 MzDiff: `none`	PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000206152) Formula: C42H72NO11P (797.4843)	-0.53 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000028574 Unreliable	798.5068	798.5068 ~ 798.5068 MzDiff: `none`	PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000206152) Formula: C42H72NO11P (797.4843)	0.84 (100%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000029315 Unreliable	798.5068	798.5068 ~ 798.5068 MzDiff: `none`	PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000206152) Formula: C42H72NO11P (797.4843)	1.3 (100%)	Macropus giganteus [UBERON:0002336] corpus callosum

Found 3 Sample Hits

Metabolite	Species	Sample
3-[(5-{2-[5-({4-[2-(5-{[(2-carboxyacetyl)oxy]methyl}-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxolan-2-yl}oxy)oxolan-3-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]-3-oxopropanoic acid Formula: C46H70O11 (798.4918) Adducts: [M]+ (Ppm: 6.6)	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.
PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) Formula: C42H72NO11P (797.4843) Adducts: [M+H]+ (Ppm: 15.2)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito01_04 Resolution: 17μm, 178x91 Description
PE(15:0/PGF2alpha) Formula: C40H74NO11P (775.4999) Adducts: [M+Na]+ (Ppm: 12.8)	Macropus giganteus (Brain)	170321_kangaroobrain-dan3-pos_maxof50.0_med1 Resolution: 50μm, 81x50 Description Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

Metabolite

Species

Sample

3-[(5-{2-[5-({4-[2-(5-{[(2-carboxyacetyl)oxy]methyl}-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxolan-2-yl}oxy)oxolan-3-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]-3-oxopropanoic acid

Formula: C46H70O11 (798.4918)
Adducts: [M]+ (Ppm: 6.6)

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.

PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C42H72NO11P (797.4843)
Adducts: [M+H]+ (Ppm: 15.2)

Rattus norvegicus (Epididymis)

epik_dhb_head_ito01_04

Resolution: 17μm, 178x91

Description

PE(15:0/PGF2alpha)

Formula: C40H74NO11P (775.4999)
Adducts: [M+Na]+ (Ppm: 12.8)

Macropus giganteus (Brain)

170321_kangaroobrain-dan3-pos_maxof50.0_med1

Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild