M/Z: 800.5133

Hit 2 annotations: PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))_[M+H]+; PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_[M+H-2H2O]+

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 15 Reference Ions Near m/z 800.5133

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000043764 Unreliable	800.5133	800.5133 ~ 800.5133 MzDiff: `none`	PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000206102) Formula: C42H74NO11P (799.4999)	1.32 (100%)	Homo sapiens [UBERON:0001043] esophagus
MSI_000010458 Unavailable	800.5048	800.5048 ~ 800.5048 MzDiff: `0.1 ppm`	Ginsenoside A2 (BioDeep_00000000003) Formula: C42H72O14 (800.4922)	-1.47 (100%)	Bathymodiolus [UBERON:0009120] gill filament
MSI_000052224 Unreliable	800.5053	800.5053 ~ 800.5053 MzDiff: `none`	Ginsenoside A2 (BioDeep_00000000003) Formula: C42H72O14 (800.4922)	2.26 (100%)	Homo sapiens [UBERON:0001052] rectum
MSI_000008924 Unreliable	800.5119	800.5119 ~ 800.5119 MzDiff: `none`	PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000206102) Formula: C42H74NO11P (799.4999)	3.2 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009061 Unreliable	800.5202	800.5202 ~ 800.5202 MzDiff: `none`	Not Annotated	3.12 (0%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000011998 Unavailable	800.5048	800.5048 ~ 800.5048 MzDiff: `0.0 ppm`	Ginsenoside A2 (BioDeep_00000000003) Formula: C42H72O14 (800.4922)	-0.74 (100%)	Bathymodiolus [UBERON:2000211] gill lamella
MSI_000000613 Unavailable	800.5119	800.5119 ~ 800.5119 MzDiff: `none`	PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000206102) Formula: C42H74NO11P (799.4999)	-0.5 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000827 Unavailable	800.5202	800.5202 ~ 800.5202 MzDiff: `none`	Not Annotated	-0.62 (0%)	Mus musculus [CL:0000066] epithelial cell
MSI_000028176 Unreliable	800.5121	800.5121 ~ 800.5121 MzDiff: `none`	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546) Formula: C49H74NO8P (835.5152)	1.79 (100%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000028220 Unreliable	800.5198	800.5198 ~ 800.5198 MzDiff: `none`	PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000206102) Formula: C42H74NO11P (799.4999)	1.66 (100%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000028348 Unreliable	800.507	800.507 ~ 800.507 MzDiff: `none`	Not Annotated	1.33 (0%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000029517 Unreliable	800.5198	800.5198 ~ 800.5198 MzDiff: `none`	PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000206102) Formula: C42H74NO11P (799.4999)	0.58 (100%)	Macropus giganteus [UBERON:0002336] corpus callosum
MSI_000044439 Unavailable	800.5073	800.5073 ~ 800.5073 MzDiff: `none`	PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000206102) Formula: C42H74NO11P (799.4999)	-0.24 (100%)	Rattus norvegicus [UBERON:0002264] olfactory bulb
MSI_000050019 Unreliable	800.5195	800.5195 ~ 800.5195 MzDiff: `none`	Ginsenoside A2 (BioDeep_00000000003) Formula: C42H72O14 (800.4922)	1.17 (100%)	Mytilus edulis [UBERON:0009120] gill filament
MSI_000050683 Unreliable	800.5195	800.5195 ~ 800.5195 MzDiff: `none`	Ginsenoside A2 (BioDeep_00000000003) Formula: C42H72O14 (800.4922)	1.37 (100%)	Mytilus edulis [UBERON:2001856] gill ray

Found 3 Sample Hits

Metabolite	Species	Sample
PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) Formula: C42H74NO11P (799.4999) Adducts: [M+H]+ (Ppm: 5.9)	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.
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C49H74NO8P (835.5152) Adducts: [M+H-2H2O]+ (Ppm: 13.5)	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
PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) Formula: C42H74NO11P (799.4999) Adducts: [M+H]+ (Ppm: 7.6)	Homo sapiens (esophagus)	LNTO22_1_3 Resolution: 75μm, 121x68 Description

Metabolite

Species

Sample

PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C42H74NO11P (799.4999)
Adducts: [M+H]+ (Ppm: 5.9)

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.

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H-2H2O]+ (Ppm: 13.5)

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

PS(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C42H74NO11P (799.4999)
Adducts: [M+H]+ (Ppm: 7.6)

Homo sapiens (esophagus)

LNTO22_1_3

Resolution: 75μm, 121x68

Description