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 825.58
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007581 Reliable 825.5726 825.5723 ~ 825.5729
MzDiff: 2.6 ppm
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
4.32 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007354 Unreliable 825.5787 825.5782 ~ 825.5789
MzDiff: 2.6 ppm
Not Annotated 5.33 (0%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009091 Unreliable 825.5825 825.5825 ~ 825.5825
MzDiff: none
Not Annotated 3.09 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009106 Unreliable 825.5735 825.5735 ~ 825.5735
MzDiff: none
SM(d20:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215742)
Formula: C45H81N2O9P (824.5679)
3.08 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000021294 Unreliable 825.5743 825.5743 ~ 825.5743
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
1.26 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000000790 Unavailable 825.5825 825.5825 ~ 825.5825
MzDiff: none
Not Annotated -0.6 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000812 Unavailable 825.5735 825.5735 ~ 825.5735
MzDiff: none
SM(d20:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215742)
Formula: C45H81N2O9P (824.5679)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000004125 Unreliable 825.5806 825.5806 ~ 825.5806
MzDiff: none
PE(18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186162)
Formula: C45H78NO9P (807.5414)
1 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000029129 Unreliable 825.5759 825.5759 ~ 825.5759
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
1.92 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030238 Unreliable 825.5709 825.5709 ~ 825.5709
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
2.06 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030944 Unreliable 825.5759 825.5759 ~ 825.5759
MzDiff: none
PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000211199)
Formula: C46H84NO9P (825.5883)
0.51 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031604 Unreliable 825.5709 825.5709 ~ 825.5709
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
0.2 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000061524 Unavailable 825.5756 825.5756 ~ 825.5756
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
-0.34 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062478 Unavailable 825.5756 825.5756 ~ 825.5756
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
-0.38 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062877 Unavailable 825.5756 825.5756 ~ 825.5756
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:0) (BioDeep_00000032549)
Formula: C42H81NO11S (807.553)
-0.4 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 13 Sample Hits
Metabolite Species Sample
m/z_825.5825

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

PE(18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H78NO9P (807.5414)
Adducts: [M+NH4]+ (Ppm: 6.5)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

m/z_825.5794

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_825.5793

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

Description

3-O-Sulfogalactosylceramide (d18:1/18:0)

Formula: C42H81NO11S (807.553)
Adducts: [M+NH4]+ (Ppm: 17.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

m/z_825.5791

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

m/z_825.579

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

m/z_825.5792

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

Description

m/z_825.5793

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

PC(18:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C46H84NO9P (825.5883)
Adducts: [M]+ (Ppm: 14.4)
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

PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C46H81O10P (824.5567)
Adducts: [M+H]+ (Ppm: 19.4)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C46H81O10P (824.5567)
Adducts: [M+H]+ (Ppm: 15)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C46H81O10P (824.5567)
Adducts: [M+H]+ (Ppm: 14.3)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB