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 686.6031
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_000011373 Unreliable 686.5962 686.5962 ~ 686.5962
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)
0.72 (100%) 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_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_000009764 Unavailable 686.5962 686.5962 ~ 686.5962
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)
-1.61 (100%) 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_000000190 Unreliable 686.5962 686.5962 ~ 686.5962
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)
1.64 (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

Found 4 Sample Hits
Metabolite Species Sample
DG(18:2n6/0:0/22:2n6)

Formula: C44H78O5 (686.5849)
Adducts: [M-H2O+NH4]+ (Ppm: 8.4)
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).

DG(19:0/18:1(12Z)-2OH(9,10)/0:0)

Formula: C40H76O7 (668.5591)
Adducts: [M+NH4]+ (Ppm: 14.9)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

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).

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

Formula: C44H78O5 (686.5849)
Adducts: [M-H2O+NH4]+ (Ppm: 6.3)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description