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 582.313
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_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_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

Found 13 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.

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

Formula: C30H52NO10P (617.3329)
Adducts: [M+H-2H2O]+ (Ppm: 8.6)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

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

Formula: C30H52NO10P (617.3329)
Adducts: [M+H-2H2O]+ (Ppm: 10.5)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

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

Formula: C30H52NO10P (617.3329)
Adducts: [M+H-2H2O]+ (Ppm: 8.6)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PC(2:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C30H50NO9P (599.3223)
Adducts: [M+H-H2O]+ (Ppm: 10.3)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

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

Formula: C30H52NO10P (617.3329)
Adducts: [M+H-2H2O]+ (Ppm: 7.7)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

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

Formula: C30H52NO10P (617.3329)
Adducts: [M+H-2H2O]+ (Ppm: 8.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

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

Formula: C30H52NO10P (617.3329)
Adducts: [M+H-2H2O]+ (Ppm: 9)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

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

Formula: C30H52NO10P (617.3329)
Adducts: [M+H-2H2O]+ (Ppm: 9)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

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

Formula: C30H52NO10P (617.3329)
Adducts: [M+H-2H2O]+ (Ppm: 7.9)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(2:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C30H50NO9P (599.3223)
Adducts: [M+H-H2O]+ (Ppm: 10.3)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PC(2:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C30H50NO9P (599.3223)
Adducts: [M+H-H2O]+ (Ppm: 9.8)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PC(2:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C30H50NO9P (599.3223)
Adducts: [M+H-H2O]+ (Ppm: 10.3)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description