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 7 Reference Ions Near m/z 454.9951
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011597 Unavailable 454.9951 454.9951 ~ 454.9951
MzDiff: none
sits (BioDeep_00000009517)
Formula: C17H14N2O7S3 (453.9963)
-1.26 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000061257 Unavailable 455.0047 455.0047 ~ 455.0048
MzDiff: 0.3 ppm
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid (BioDeep_00000174302)
Formula: C17H14N2O7S3 (453.9963)
-0.24 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000009796 Unavailable 454.9951 454.9951 ~ 454.9951
MzDiff: none
sits (BioDeep_00000009517)
Formula: C17H14N2O7S3 (453.9963)
-1.68 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000060754 Unreliable 455.0036 455.0036 ~ 455.0036
MzDiff: 0.0 ppm
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid (BioDeep_00000174302)
Formula: C17H14N2O7S3 (453.9963)
2.26 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000000310 Unreliable 454.9951 454.9951 ~ 454.9951
MzDiff: none
sits (BioDeep_00000009517)
Formula: C17H14N2O7S3 (453.9963)
0.88 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000059089 Unreliable 455.0036 455.0036 ~ 455.0036
MzDiff: none
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid (BioDeep_00000174302)
Formula: C17H14N2O7S3 (453.9963)
1.68 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059476 Unreliable 455.0043 455.0043 ~ 455.0043
MzDiff: none
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid (BioDeep_00000174302)
Formula: C17H14N2O7S3 (453.9963)
1.15 (100%) Mus musculus
[UBERON:0002298] brainstem

Found 3 Sample Hits
Metabolite Species Sample
sits

Formula: C17H14N2O7S3 (453.9963)
Adducts: [M+H]+ (Ppm: 18.7)
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.

(2r,3s,6r,8s,9s)-2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-yl acetate

Formula: C17H25Br2ClO2 (453.991)
Adducts: [M+H]+ (Ppm: 1.7)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid

Formula: C17H14N2O7S3 (453.9963)
Adducts: [M+H]+ (Ppm: 1.6)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description