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 16 Reference Ions Near m/z 827.5939
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007171 Reliable 827.5936 827.5932 ~ 827.5939
MzDiff: 2.9 ppm
PC(18:0/20:3(6,8,11)-OH(5)) (BioDeep_00000211301)
Formula: C46H86NO9P (827.604)
3.86 (43%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007428 827.5868 827.5866 ~ 827.587
MzDiff: 1.6 ppm
PE(20:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000186850)
Formula: C45H82NO10P (827.5676)
2.73 (50%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020942 Unreliable 827.5992 827.5991 ~ 827.5994
MzDiff: 1.1 ppm
Not Annotated 3.02 (0%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008980 Unreliable 827.6026 827.6026 ~ 827.6026
MzDiff: none
Not Annotated 3.18 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009026 Unreliable 827.5936 827.5936 ~ 827.5936
MzDiff: none
PC(18:0/20:3(6,8,11)-OH(5)) (BioDeep_00000211301)
Formula: C46H86NO9P (827.604)
3.14 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009038 Unreliable 827.5846 827.5846 ~ 827.5846
MzDiff: none
SM(d20:1/PGE2) (BioDeep_00000215719)
Formula: C45H83N2O9P (826.5836)
3.13 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000755 Unavailable 827.6026 827.6026 ~ 827.6026
MzDiff: none
Not Annotated -0.58 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000791 Unavailable 827.5936 827.5936 ~ 827.5936
MzDiff: none
PC(18:0/20:3(6,8,11)-OH(5)) (BioDeep_00000211301)
Formula: C46H86NO9P (827.604)
-0.6 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000805 Unavailable 827.5846 827.5846 ~ 827.5846
MzDiff: none
SM(d20:1/PGE2) (BioDeep_00000215719)
Formula: C45H83N2O9P (826.5836)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028728 Unreliable 827.5898 827.5898 ~ 827.5898
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
0.49 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029346 Unreliable 827.5898 827.5898 ~ 827.5898
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
1.22 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000044211 Unreliable 827.5847 827.5847 ~ 827.5847
MzDiff: none
PE(20:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000186850)
Formula: C45H82NO10P (827.5676)
0.63 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000044269 Unreliable 827.603 827.603 ~ 827.603
MzDiff: none
PA(24:0/20:3(6,8,11)-OH(5)) (BioDeep_00000191371)
Formula: C47H87O9P (826.6087)
0.38 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061662 Unavailable 827.5872 827.5872 ~ 827.5872
MzDiff: none
PE(20:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000186850)
Formula: C45H82NO10P (827.5676)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062329 Unavailable 827.5872 827.5872 ~ 827.5872
MzDiff: none
PE(20:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000186850)
Formula: C45H82NO10P (827.5676)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062759 Unavailable 827.5872 827.5872 ~ 827.5872
MzDiff: none
PE(20:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000186850)
Formula: C45H82NO10P (827.5676)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 14 Sample Hits
Metabolite Species Sample
PC(18:0/20:3(6,8,11)-OH(5))

Formula: C46H86NO9P (827.604)
Adducts: [M]+ (Ppm: 11.9)
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_827.594

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

m/z_827.5939

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

Description

m/z_827.5937

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

Description

m/z_827.5937

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

PC(18:0/20:3(6,8,11)-OH(5))

Formula: C46H86NO9P (827.604)
Adducts: [M]+ (Ppm: 11.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PC(18:0/20:3(6,8,11)-OH(5))

Formula: C46H86NO9P (827.604)
Adducts: [M]+ (Ppm: 12.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PC(18:0/20:3(6,8,11)-OH(5))

Formula: C46H86NO9P (827.604)
Adducts: [M]+ (Ppm: 12.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PC(18:0/20:3(6,8,11)-OH(5))

Formula: C46H86NO9P (827.604)
Adducts: [M]+ (Ppm: 10.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

PC(18:0/20:3(6,8,11)-OH(5))

Formula: C46H86NO9P (827.604)
Adducts: [M]+ (Ppm: 12.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

m/z_827.595

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

PC(18:0/20:3(6,8,11)-OH(5))

Formula: C46H86NO9P (827.604)
Adducts: [M]+ (Ppm: 14.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

m/z_827.5935

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H73O9P (788.4992)
Adducts: [M+K]+ (Ppm: 8.6)
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