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 13 Reference Ions Near m/z 473.9653
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000010952 Unreliable 473.9586 473.9586 ~ 473.9586
MzDiff: none
deoxyguanosine diphosphate (BioDeep_00000419539)
Formula: C10H12N5Na3O11P2 (508.9702)
2.82 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010835 Unreliable 473.9653 473.9653 ~ 473.9653
MzDiff: none
Not Annotated 3.1 (%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010905 Unreliable 473.9715 473.9715 ~ 473.9715
MzDiff: none
Lignin (BioDeep_00000395495)
Formula: C18H13N3Na2O8S2 (508.9939)
2.95 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009794 Unavailable 473.9586 473.9586 ~ 473.9586
MzDiff: none
deoxyguanosine diphosphate (BioDeep_00000419539)
Formula: C10H12N5Na3O11P2 (508.9702)
-1.68 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009787 Unavailable 473.9653 473.9653 ~ 473.9653
MzDiff: none
Not Annotated -1.66 (%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009772 Unavailable 473.9715 473.9715 ~ 473.9715
MzDiff: none
Lignin (BioDeep_00000395495)
Formula: C18H13N3Na2O8S2 (508.9939)
-1.62 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000906 Unavailable 473.9586 473.9586 ~ 473.9586
MzDiff: none
deoxyguanosine diphosphate (BioDeep_00000419539)
Formula: C10H12N5Na3O11P2 (508.9702)
-0.78 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000945 Unavailable 473.9653 473.9653 ~ 473.9653
MzDiff: none
Not Annotated -0.84 (%) Mus musculus
[CL:0000066] epithelial cell
MSI_000049826 Unreliable 473.9657 473.9657 ~ 473.9657
MzDiff: none
(4r,5r)-4-hydroxy-3,3-dimethyl-5-(3,3,3-trichloro-2-methylpropyl)-1-(4,4,4-trichloro-3-methylbutanoyl)pyrrolidin-2-one (BioDeep_00002129801)
Formula: C15H21Cl6NO3 (472.9653)
1.5 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050708 Unreliable 473.9657 473.9657 ~ 473.9657
MzDiff: none
(4r,5r)-4-hydroxy-3,3-dimethyl-5-(3,3,3-trichloro-2-methylpropyl)-1-(4,4,4-trichloro-3-methylbutanoyl)pyrrolidin-2-one (BioDeep_00002129801)
Formula: C15H21Cl6NO3 (472.9653)
1.28 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000000912 Unavailable 473.9715 473.9715 ~ 473.9715
MzDiff: none
Lignin (BioDeep_00000395495)
Formula: C18H13N3Na2O8S2 (508.9939)
-0.79 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000033889 Unreliable 473.9744 473.9744 ~ 473.9744
MzDiff: none
aerophobin-1 (BioDeep_00000011583)
Formula: C15H16Br2N4O4 (473.9538)
0.31 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035813 Unavailable 473.9744 473.9744 ~ 473.9744
MzDiff: none
aerophobin-1 (BioDeep_00000011583)
Formula: C15H16Br2N4O4 (473.9538)
-0.37 (100%) Posidonia oceanica
[PO:0006203] pericycle

Found 4 Sample Hits
Metabolite Species Sample
m/z_473.9653

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.

(4r,5r)-4-hydroxy-3,3-dimethyl-5-(3,3,3-trichloro-2-methylpropyl)-1-(4,4,4-trichloro-3-methylbutanoyl)pyrrolidin-2-one

Formula: C15H21Cl6NO3 (472.9653)
Adducts: [M+H]+ (Ppm: 13.6)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

(4r,5r)-4-hydroxy-3,3-dimethyl-5-(3,3,3-trichloro-2-methylpropyl)-1-(4,4,4-trichloro-3-methylbutanoyl)pyrrolidin-2-one

Formula: C15H21Cl6NO3 (472.9653)
Adducts: [M+H]+ (Ppm: 14.4)
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

(4r,5r)-4-hydroxy-3,3-dimethyl-5-(3,3,3-trichloro-2-methylpropyl)-1-(4,4,4-trichloro-3-methylbutanoyl)pyrrolidin-2-one

Formula: C15H21Cl6NO3 (472.9653)
Adducts: [M+H]+ (Ppm: 14.2)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description