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 582.3075
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006536 Reliable 582.3036 582.3032 ~ 582.304
MzDiff: 3.1 ppm
Val-Pro-Asp-Pro-Arg (BioDeep_00000172657)
Formula: C25H42N8O8 (582.3125)
14.23 (12%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000056792 Reliable 582.3139 582.3133 ~ 582.314
MzDiff: 2.8 ppm
PC(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000213834)
Formula: C30H52NO10P (617.3329)
4.7 (90%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058120 Reliable 582.3139 582.3138 ~ 582.314
MzDiff: 0.8 ppm
PC(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000213834)
Formula: C30H52NO10P (617.3329)
5.78 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000011572 Unavailable 582.3027 582.3027 ~ 582.3027
MzDiff: none
N3-Acetylapramycin (BioDeep_00000005017)
Formula: C23H43N5O12 (581.2908)
-1 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011632 Unavailable 582.3093 582.3093 ~ 582.3093
MzDiff: none
(1s,4r,7r,9s)-6-hydroxy-9-[(1s,4r,7r,9s)-6-hydroxy-4-isopropyl-3-oxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one (BioDeep_00002064313)
Formula: C33H38N6O4 (582.2954)
-1.65 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009291 Unreliable 582.3027 582.3027 ~ 582.3027
MzDiff: none
N3-Acetylapramycin (BioDeep_00000005017)
Formula: C23H43N5O12 (581.2908)
0.76 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009306 Unreliable 582.3093 582.3093 ~ 582.3093
MzDiff: none
(1s,4r,7r,9s)-6-hydroxy-9-[(1s,4r,7r,9s)-6-hydroxy-4-isopropyl-3-oxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one (BioDeep_00002064313)
Formula: C33H38N6O4 (582.2954)
0.41 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000060 Unreliable 582.3093 582.3093 ~ 582.3093
MzDiff: none
(1s,4r,7r,9s)-6-hydroxy-9-[(1s,4r,7r,9s)-6-hydroxy-4-isopropyl-3-oxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one (BioDeep_00002064313)
Formula: C33H38N6O4 (582.2954)
2.14 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000193 Unreliable 582.3027 582.3027 ~ 582.3027
MzDiff: none
N3-Acetylapramycin (BioDeep_00000005017)
Formula: C23H43N5O12 (581.2908)
1.62 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 5 Sample Hits
Metabolite Species Sample
(1s,4r,7r,9s)-6-hydroxy-9-[(1s,4r,7r,9s)-6-hydroxy-4-isopropyl-3-oxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

Formula: C33H38N6O4 (582.2954)
Adducts: [M-H2O+NH4]+ (Ppm: 16.1)
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.

m/z_582.3043

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

m/z_582.304

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

m/z_582.3037

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PC(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C30H52NO10P (617.3329)
Adducts: [M+H-2H2O]+ (Ppm: 19.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description