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 6 Reference Ions Near m/z 581.1328
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011190 Unreliable 581.1348 581.1348 ~ 581.1348
MzDiff: none
Lapatinib (BioDeep_00000019028)
Formula: C29H26ClFN4O4S (580.1347)
1.82 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011258 Unreliable 581.1269 581.1269 ~ 581.1269
MzDiff: none
Estramustine phosphate sodium (BioDeep_00000606575)
Formula: C23H30Cl2NNa2O6P (563.0983)
1.61 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009452 Unavailable 581.1348 581.1348 ~ 581.1348
MzDiff: none
Lapatinib (BioDeep_00000019028)
Formula: C29H26ClFN4O4S (580.1347)
-0.46 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009478 Unavailable 581.1269 581.1269 ~ 581.1269
MzDiff: none
Estramustine phosphate sodium (BioDeep_00000606575)
Formula: C23H30Cl2NNa2O6P (563.0983)
-0.5 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000966 Unavailable 581.1269 581.1269 ~ 581.1269
MzDiff: none
Estramustine phosphate sodium (BioDeep_00000606575)
Formula: C23H30Cl2NNa2O6P (563.0983)
-0.86 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000051250 Unreliable 581.1328 581.1328 ~ 581.1328
MzDiff: none
Lapatinib (BioDeep_00000019028)
Formula: C29H26ClFN4O4S (580.1347)
0 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 5 Sample Hits
Metabolite Species Sample
Estramustine phosphate sodium

Formula: C23H30Cl2NNa2O6P (563.0983)
Adducts: [M+NH4]+ (Ppm: 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.

3,5-Dicaffeoyl-4-succinoylquinic acid

Formula: C29H28O15 (616.1428)
Adducts: [M+H-2H2O]+ (Ppm: 1.3)
Marker Pen (NA)
3ul_0.8Mpa_RAW_20241016-PAPER PNMK
Resolution: 30μm, 315x42

Description

By writing the four English letters “PNMK” on white paper with a marker pen, and then scanning with a DESI ion source to obtain the scanning result. The signal of the chemical substances on the marker pen used appears on the channel with an m/z value of 322.1918, 323.1953, 546.4010, and etc, from the single cell deconvolution sampling layer class_4. This test data was tested by chuxiaoping from PANOMIX’s R&D laboratory.

Lapatinib

Formula: C29H26ClFN4O4S (580.1347)
Adducts: [M+H]+ (Ppm: 15.1)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

Lapatinib

Formula: C29H26ClFN4O4S (580.1347)
Adducts: [M+H]+ (Ppm: 15.8)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

Lapatinib

Formula: C29H26ClFN4O4S (580.1347)
Adducts: [M+H]+ (Ppm: 16.2)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description