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 825.5825
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007581 Reliable 825.5726 825.5723 ~ 825.5729
MzDiff: 2.6 ppm
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
4.32 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007354 Unreliable 825.5787 825.5782 ~ 825.5789
MzDiff: 2.6 ppm
Not Annotated 5.33 (%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009106 Unreliable 825.5735 825.5735 ~ 825.5735
MzDiff: none
SM(d20:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215742)
Formula: C45H81N2O9P (824.5679)
3.08 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000021294 Unreliable 825.5743 825.5743 ~ 825.5743
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
1.26 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000009091 Unreliable 825.5825 825.5825 ~ 825.5825
MzDiff: none
Not Annotated 3.09 (%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009068 Unreliable 825.5915 825.5915 ~ 825.5915
MzDiff: none
Not Annotated 3.11 (%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000812 Unavailable 825.5735 825.5735 ~ 825.5735
MzDiff: none
SM(d20:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215742)
Formula: C45H81N2O9P (824.5679)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000061524 Unavailable 825.5756 825.5756 ~ 825.5756
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
-0.34 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062478 Unavailable 825.5756 825.5756 ~ 825.5756
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
-0.38 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062877 Unavailable 825.5756 825.5756 ~ 825.5756
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
-0.4 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000029129 Unreliable 825.5759 825.5759 ~ 825.5759
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
1.92 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030944 Unreliable 825.5759 825.5759 ~ 825.5759
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
0.51 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000004125 Unreliable 825.5806 825.5806 ~ 825.5806
MzDiff: none
PE(18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186162)
Formula: C45H78NO9P (807.5414)
1 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000000790 Unavailable 825.5825 825.5825 ~ 825.5825
MzDiff: none
Not Annotated -0.6 (%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000534 Unavailable 825.5915 825.5915 ~ 825.5915
MzDiff: none
Not Annotated -0.37 (%) Mus musculus
[CL:0000066] epithelial cell

Found 4 Sample Hits
Metabolite Species Sample
m/z_825.5825

Formula: - (n/a)
Adducts: (Ppm: )
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(18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H78NO9P (807.5414)
Adducts: [M+NH4]+ (Ppm: 6.5)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C46H81O10P (824.5567)
Adducts: [M+H]+ (Ppm: 19.4)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C46H81O10P (824.5567)
Adducts: [M+H]+ (Ppm: 15)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description