M/Z: 772.4896

Hit 3 annotations: PS(14:0/20:3(5Z,8Z,11Z)-O(14R,15S))_[M+H]+; Kemptide_[M+H]+; PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))_[M+H]+

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 10 Reference Ions Near m/z 772.4896

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000006219 Reliable	772.4966	772.4965 ~ 772.4968 MzDiff: `1.1 ppm`	PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105625) Formula: C44H70NO8P (771.4839)	14.39 (100%)	Rattus norvegicus [UBERON:0004358] caput epididymis
MSI_000007752 Unreliable	772.4972	772.497 ~ 772.4974 MzDiff: `1.3 ppm`	PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105625) Formula: C44H70NO8P (771.4839)	6.87 (100%)	Rattus norvegicus [UBERON:0004359] corpus epididymis
MSI_000011418 Unreliable	772.4862	772.4862 ~ 772.4862 MzDiff: `none`	PS(14:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000185444) Formula: C40H70NO11P (771.4686)	0.45 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011394 Unreliable	772.4942	772.4942 ~ 772.4942 MzDiff: `none`	Kemptide (BioDeep_00000180259) Formula: C32H61N13O9 (771.4715)	0.58 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000000090 Unreliable	772.4862	772.4862 ~ 772.4862 MzDiff: `none`	PS(14:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000185444) Formula: C40H70NO11P (771.4686)	2.08 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000030320 Unreliable	772.4896	772.4896 ~ 772.4896 MzDiff: `none`	Kemptide (BioDeep_00000180259) Formula: C32H61N13O9 (771.4715)	1.94 (100%)	Macropus giganteus [UBERON:0003027] cingulate cortex
MSI_000000095 Unreliable	772.4942	772.4942 ~ 772.4942 MzDiff: `none`	Kemptide (BioDeep_00000180259) Formula: C32H61N13O9 (771.4715)	2.07 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000044082 Unreliable	772.497	772.497 ~ 772.497 MzDiff: `none`	PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105625) Formula: C44H70NO8P (771.4839)	1.52 (100%)	Rattus norvegicus [UBERON:0002264] olfactory bulb
MSI_000028379 Unreliable	772.4993	772.4993 ~ 772.4993 MzDiff: `none`	Erythromycin propionate (BioDeep_00000178798) Formula: C40H71NO14 (789.4874)	1.26 (100%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000030797 Unreliable	772.4993	772.4993 ~ 772.4993 MzDiff: `none`	Erythromycin propionate (BioDeep_00000178798) Formula: C40H71NO14 (789.4874)	0.97 (100%)	Macropus giganteus [UBERON:0003027] cingulate cortex

Found 3 Sample Hits

Metabolite	Species	Sample
PS(14:0/20:3(5Z,8Z,11Z)-O(14R,15S)) Formula: C40H70NO11P (771.4686) Adducts: [M+H]+ (Ppm: 13.3)	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.
Kemptide Formula: C32H61N13O9 (771.4715) Adducts: [M+H]+ (Ppm: 14)	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
PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Formula: C44H70NO8P (771.4839) Adducts: [M+H]+ (Ppm: 5.8)	Homo sapiens (colorectal adenocarcinoma)	520TopL, 490TopR, 510BottomL, 500BottomR-profile Resolution: 17μm, 147x131 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Metabolite

Species

Sample

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

Formula: C40H70NO11P (771.4686)
Adducts: [M+H]+ (Ppm: 13.3)

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.

Kemptide

Formula: C32H61N13O9 (771.4715)
Adducts: [M+H]+ (Ppm: 14)

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

PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H70NO8P (771.4839)
Adducts: [M+H]+ (Ppm: 5.8)

Homo sapiens (colorectal adenocarcinoma)

520TopL, 490TopR, 510BottomL, 500BottomR-profile

Resolution: 17μm, 147x131

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).