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 472.0728
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000021212 Reliable 472.0747 472.0745 ~ 472.0748
MzDiff: 1.0 ppm
{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid (BioDeep_00000010796)
Formula: C21H17F4NO3S2 (471.0586)
3.16 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000011304 Unreliable 472.0646 472.0646 ~ 472.0646
MzDiff: none
Cefazolin (BioDeep_00000001769)
Formula: C14H14N8O4S3 (454.03)
1.2 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011497 Unreliable 472.0728 472.0728 ~ 472.0728
MzDiff: none
Clamikalant (BioDeep_00000177546)
Formula: C19H22ClN3O5S2 (471.0689)
0.02 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011514 Unavailable 472.0805 472.0805 ~ 472.0805
MzDiff: none
Not Annotated -0.15 (0%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009320 Unreliable 472.0646 472.0646 ~ 472.0646
MzDiff: none
Cefazolin (BioDeep_00000001769)
Formula: C14H14N8O4S3 (454.03)
0.18 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009358 Unavailable 472.0805 472.0805 ~ 472.0805
MzDiff: none
Not Annotated -0.16 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009362 Unavailable 472.0728 472.0728 ~ 472.0728
MzDiff: none
Clamikalant (BioDeep_00000177546)
Formula: C19H22ClN3O5S2 (471.0689)
-0.17 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000743 Unavailable 472.0646 472.0646 ~ 472.0646
MzDiff: none
Cefazolin (BioDeep_00000001769)
Formula: C14H14N8O4S3 (454.03)
-0.58 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000027476 Unreliable 472.065 472.065 ~ 472.065
MzDiff: none
Cefazolin (BioDeep_00000001769)
Formula: C14H14N8O4S3 (454.03)
1.98 (100%) Mus musculus
[UBERON:0000913] interstitial fluid

Found 12 Sample Hits
Metabolite Species Sample
Clamikalant

Formula: C19H22ClN3O5S2 (471.0689)
Adducts: [M+H]+ (Ppm: 7.2)
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.

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 18.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 16)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 18.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 18.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 18.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 18.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 18.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 18.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 17.6)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 18.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

{4-[({2-[3-Fluoro-4-(Trifluoromethyl)phenyl]-4-Methyl-1,3-Thiazol-5-Yl}methyl)sulfanyl]-2-Methylphenoxy}acetic Acid

Formula: C21H17F4NO3S2 (471.0586)
Adducts: [M+H]+ (Ppm: 18.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description