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 13 Reference Ions Near m/z 824.5351
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007102 Reliable 824.5317 824.5315 ~ 824.5319
MzDiff: 1.6 ppm
PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000029449)
Formula: C46H76NO8P (801.5308)
3.03 (57%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000058181 Reliable 824.5445 824.5444 ~ 824.5445
MzDiff: 0.5 ppm
PE(DiMe(11,3)/DiMe(11,3)) (BioDeep_00000054622)
Formula: C45H78NO10P (823.5363)
5.76 (71%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000007564 Reliable 824.5385 824.5382 ~ 824.5388
MzDiff: 2.4 ppm
PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000105861)
Formula: C48H74NO8P (823.5152)
2.65 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007082 Unreliable 824.5253 824.525 ~ 824.5254
MzDiff: 1.6 ppm
PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000190720)
Formula: C45H77O11P (824.5203)
5.49 (80%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020461 Unreliable 824.5449 824.5447 ~ 824.545
MzDiff: 1.1 ppm
Globotriaosylsphingosine from porcine blood (BioDeep_00000179440)
Formula: C36H67NO17 (785.4409)
3.76 (80%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009130 Unreliable 824.5262 824.5262 ~ 824.5262
MzDiff: none
Mycobactin J (BioDeep_00000181154)
Formula: C45H71N5O10 (841.5201)
3.05 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009185 Unreliable 824.5351 824.5351 ~ 824.5351
MzDiff: none
PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000105861)
Formula: C48H74NO8P (823.5152)
2.99 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009189 Unreliable 824.5441 824.5441 ~ 824.5441
MzDiff: none
PE(DiMe(11,3)/DiMe(11,3)) (BioDeep_00000054622)
Formula: C45H78NO10P (823.5363)
2.99 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000677 Unavailable 824.5441 824.5441 ~ 824.5441
MzDiff: none
PE(DiMe(11,3)/DiMe(11,3)) (BioDeep_00000054622)
Formula: C45H78NO10P (823.5363)
-0.54 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000692 Unavailable 824.5351 824.5351 ~ 824.5351
MzDiff: none
PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000105861)
Formula: C48H74NO8P (823.5152)
-0.55 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000788 Unavailable 824.5262 824.5262 ~ 824.5262
MzDiff: none
Mycobactin J (BioDeep_00000181154)
Formula: C45H71N5O10 (841.5201)
-0.6 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028442 Unreliable 824.5383 824.5383 ~ 824.5383
MzDiff: none
PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000105861)
Formula: C48H74NO8P (823.5152)
1.12 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029412 Unreliable 824.5383 824.5383 ~ 824.5383
MzDiff: none
PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000105861)
Formula: C48H74NO8P (823.5152)
0.98 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum

Found 8 Sample Hits
Metabolite Species Sample
PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C48H74NO8P (823.5152)
Adducts: [M+H]+ (Ppm: 15.3)
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(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C46H76NO8P (801.5308)
Adducts: [M+Na]+ (Ppm: 15.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M]+ (Ppm: 6.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C48H74NO8P (823.5152)
Adducts: [M+H]+ (Ppm: 19.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C46H76NO8P (801.5308)
Adducts: [M+Na]+ (Ppm: 14)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C48H74NO8P (823.5152)
Adducts: [M+H]+ (Ppm: 14.5)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C48H74NO8P (823.5152)
Adducts: [M+H]+ (Ppm: 19.2)
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

Globotriaosylsphingosine from porcine blood

Formula: C36H67NO17 (785.4409)
Adducts: [M+K]+ (Ppm: 5.3)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description