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 12 Reference Ions Near m/z 946.596
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006595 Reliable 946.6004 946.6001 ~ 946.6008
MzDiff: 3.0 ppm
PE(20:1(11Z)/LTE4) (BioDeep_00000186952)
Formula: C48H85N2O11PS (928.5611)
6.21 (53%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000011675 Unavailable 946.596 946.596 ~ 946.596
MzDiff: none
n-[(1e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5e,7e,13e,19e,25s,29s)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-n-methylformamide (BioDeep_00002087005)
Formula: C52H83NO14 (945.5813)
-1.99 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000061405 Unreliable 946.5976 946.5975 ~ 946.5977
MzDiff: 0.5 ppm
PE(20:1(11Z)/LTE4) (BioDeep_00000186952)
Formula: C48H85N2O11PS (928.5611)
1.61 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000009101 Unreliable 946.596 946.596 ~ 946.596
MzDiff: none
n-[(1e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5e,7e,13e,19e,25s,29s)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-n-methylformamide (BioDeep_00002087005)
Formula: C52H83NO14 (945.5813)
3.08 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000530 Unavailable 946.596 946.596 ~ 946.596
MzDiff: none
n-[(1e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5e,7e,13e,19e,25s,29s)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-n-methylformamide (BioDeep_00002087005)
Formula: C52H83NO14 (945.5813)
-0.37 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000002519 Unreliable 946.5983 946.5983 ~ 946.5983
MzDiff: none
n-[(1e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5e,7e,13e,19e,25s,29s)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-n-methylformamide (BioDeep_00002087005)
Formula: C52H83NO14 (945.5813)
0.7 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003090 Unreliable 946.5983 946.5983 ~ 946.5983
MzDiff: none
n-[(1e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5e,7e,13e,19e,25s,29s)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-n-methylformamide (BioDeep_00002087005)
Formula: C52H83NO14 (945.5813)
2.18 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000005189 Unavailable 946.5983 946.5983 ~ 946.5983
MzDiff: none
n-[(1e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5e,7e,13e,19e,25s,29s)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-n-methylformamide (BioDeep_00002087005)
Formula: C52H83NO14 (945.5813)
-0.69 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005819 Unavailable 946.5983 946.5983 ~ 946.5983
MzDiff: none
n-[(1e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5e,7e,13e,19e,25s,29s)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-n-methylformamide (BioDeep_00002087005)
Formula: C52H83NO14 (945.5813)
-0.69 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000058698 Unreliable 946.5983 946.5983 ~ 946.5983
MzDiff: none
PI(20:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000201995)
Formula: C49H87O15P (946.5782)
0.44 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000060072 Unavailable 946.5975 946.5975 ~ 946.5975
MzDiff: none
PE(20:1(11Z)/LTE4) (BioDeep_00000186952)
Formula: C48H85N2O11PS (928.5611)
-0.91 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060467 Unavailable 946.5975 946.5975 ~ 946.5975
MzDiff: none
PE(20:1(11Z)/LTE4) (BioDeep_00000186952)
Formula: C48H85N2O11PS (928.5611)
-0.16 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 6 Sample Hits
Metabolite Species Sample
n-[(1e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5e,7e,13e,19e,25s,29s)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-n-methylformamide

Formula: C52H83NO14 (945.5813)
Adducts: [M+H]+ (Ppm: 7.8)
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.

n-[(1e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5e,7e,13e,19e,25s,29s)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-n-methylformamide

Formula: C52H83NO14 (945.5813)
Adducts: [M+H]+ (Ppm: 10.2)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PE(20:1(11Z)/LTE4)

Formula: C48H85N2O11PS (928.5611)
Adducts: [M+NH4]+ (Ppm: 2.7)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description

PE(20:1(11Z)/LTE4)

Formula: C48H85N2O11PS (928.5611)
Adducts: [M+NH4]+ (Ppm: 2.7)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

PE(20:1(11Z)/LTE4)

Formula: C48H85N2O11PS (928.5611)
Adducts: [M+NH4]+ (Ppm: 2.9)
Mus musculus (brain)
Brain01_Bregma1-42_01_centroid
Resolution: 17μm, 447x118

Description

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

Formula: C49H87O15P (946.5782)
Adducts: [M-H2O+NH4]+ (Ppm: 3.4)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description