M/Z: 686.6094

Hit 1 annotations: DG(18:2n6/0:0/22:2n6)_[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 9 Reference Ions Near m/z 686.6094

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000011352 Unreliable	686.6094	686.6094 ~ 686.6094 MzDiff: `none`	Not Annotated	0.85 (0%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011417 Unreliable	686.6024	686.6024 ~ 686.6024 MzDiff: `none`	DG(18:2n6/0:0/22:2n6) (BioDeep_00000050504) Formula: C44H78O5 (686.5849)	0.45 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011474 Unreliable	686.6168	686.6168 ~ 686.6168 MzDiff: `none`	(1s,3r,6s,7s,8s,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (9z,12z,15z)-octadeca-9,12,15-trienoate (BioDeep_00002147533) Formula: C48H78O2 (686.6001)	0.11 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000009334 Unreliable	686.6168	686.6168 ~ 686.6168 MzDiff: `none`	(1s,3r,6s,7s,8s,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (9z,12z,15z)-octadeca-9,12,15-trienoate (BioDeep_00002147533) Formula: C48H78O2 (686.6001)	0.01 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009651 Unavailable	686.6024	686.6024 ~ 686.6024 MzDiff: `none`	DG(18:2n6/0:0/22:2n6) (BioDeep_00000050504) Formula: C44H78O5 (686.5849)	-1.24 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009683 Unavailable	686.6094	686.6094 ~ 686.6094 MzDiff: `none`	Not Annotated	-1.37 (0%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000000188 Unreliable	686.6024	686.6024 ~ 686.6024 MzDiff: `none`	DG(18:2n6/0:0/22:2n6) (BioDeep_00000050504) Formula: C44H78O5 (686.5849)	1.67 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000197 Unreliable	686.6094	686.6094 ~ 686.6094 MzDiff: `none`	Not Annotated	1.61 (0%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000220 Unreliable	686.6168	686.6168 ~ 686.6168 MzDiff: `none`	(1s,3r,6s,7s,8s,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (9z,12z,15z)-octadeca-9,12,15-trienoate (BioDeep_00002147533) Formula: C48H78O2 (686.6001)	1.47 (100%)	Mus musculus [CL:0000066] epithelial cell

Found 2 Sample Hits

Metabolite	Species	Sample
m/z_686.6094 Formula: - (n/a) Adducts: (Ppm: 0)	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.
DG(18:2n6/0:0/22:2n6) Formula: C44H78O5 (686.5849) Adducts: [M-H2O+NH4]+ (Ppm: 2.1)	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

m/z_686.6094

Formula: - (n/a)
Adducts: (Ppm: 0)

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.

DG(18:2n6/0:0/22:2n6)

Formula: C44H78O5 (686.5849)
Adducts: [M-H2O+NH4]+ (Ppm: 2.1)

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).