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 15 Reference Ions Near m/z 798.5048
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007008 Reliable 798.5103 798.5101 ~ 798.5108
MzDiff: 3.0 ppm
Saikosaponin (BioDeep_00000017314)
Formula: C42H68O13 (780.466)
16.29 (82%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009125 Unreliable 798.4965 798.4965 ~ 798.4965
MzDiff: none
3-[(5-{2-[5-({4-[2-(5-{[(2-carboxyacetyl)oxy]methyl}-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxolan-2-yl}oxy)oxolan-3-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]-3-oxopropanoic acid (BioDeep_00002158648)
Formula: C46H70O11 (798.4918)
3.06 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009168 Unreliable 798.5048 798.5048 ~ 798.5048
MzDiff: none
PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000206152)
Formula: C42H72NO11P (797.4843)
3.01 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009146 Unreliable 798.5133 798.5133 ~ 798.5133
MzDiff: none
saikosaponin D (BioDeep_00000356621)
Formula: C42H68O13 (780.466)
3.04 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000784 Unavailable 798.4965 798.4965 ~ 798.4965
MzDiff: none
3-[(5-{2-[5-({4-[2-(5-{[(2-carboxyacetyl)oxy]methyl}-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxolan-2-yl}oxy)oxolan-3-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]-3-oxopropanoic acid (BioDeep_00002158648)
Formula: C46H70O11 (798.4918)
-0.6 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028642 Unreliable 798.4994 798.4994 ~ 798.4994
MzDiff: none
PE(15:0/PGF2alpha) (BioDeep_00000185804)
Formula: C40H74NO11P (775.4999)
0.68 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029363 Unreliable 798.4994 798.4994 ~ 798.4994
MzDiff: none
PE(15:0/PGF2alpha) (BioDeep_00000185804)
Formula: C40H74NO11P (775.4999)
1.16 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000000645 Unavailable 798.5048 798.5048 ~ 798.5048
MzDiff: none
PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000206152)
Formula: C42H72NO11P (797.4843)
-0.53 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028574 Unreliable 798.5068 798.5068 ~ 798.5068
MzDiff: none
PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000206152)
Formula: C42H72NO11P (797.4843)
0.84 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029315 Unreliable 798.5068 798.5068 ~ 798.5068
MzDiff: none
PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000206152)
Formula: C42H72NO11P (797.4843)
1.3 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000044108 Unreliable 798.5106 798.5106 ~ 798.5106
MzDiff: none
PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000105632)
Formula: C46H72NO8P (797.4995)
1.4 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000028676 Unreliable 798.5126 798.5126 ~ 798.5126
MzDiff: none
Saikosaponin (BioDeep_00000017314)
Formula: C42H68O13 (780.466)
0.62 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029252 Unreliable 798.5126 798.5126 ~ 798.5126
MzDiff: none
Saikosaponin (BioDeep_00000017314)
Formula: C42H68O13 (780.466)
1.49 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000031933 Unavailable 798.5126 798.5126 ~ 798.5126
MzDiff: none
Saikosaponin (BioDeep_00000017314)
Formula: C42H68O13 (780.466)
-0.29 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000000580 Unavailable 798.5133 798.5133 ~ 798.5133
MzDiff: none
saikosaponin D (BioDeep_00000356621)
Formula: C42H68O13 (780.466)
-0.46 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 7 Sample Hits
Metabolite Species Sample
PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C42H72NO11P (797.4843)
Adducts: [M+H]+ (Ppm: 16.6)
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.

Saikosaponin

Formula: C42H68O13 (780.466)
Adducts: [M+NH4]+ (Ppm: 13.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

Saikosaponin

Formula: C42H68O13 (780.466)
Adducts: [M+NH4]+ (Ppm: 13.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

Saikosaponin

Formula: C42H68O13 (780.466)
Adducts: [M+NH4]+ (Ppm: 13.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

Saikosaponin

Formula: C42H68O13 (780.466)
Adducts: [M+NH4]+ (Ppm: 12.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PC(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C44H74NO8P (775.5152)
Adducts: [M+Na]+ (Ppm: 14.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PS(16:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C42H72NO11P (797.4843)
Adducts: [M+H]+ (Ppm: 19.1)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild