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 3 Reference Ions Near m/z 527.0583
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055452 Unreliable 527.0582 527.0581 ~ 527.0584
MzDiff: 1.1 ppm
(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide (BioDeep_00000177335)
Formula: C23H23Cl2F3N4O3S (562.082)
1.45 (75%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000050516 Unreliable 527.0584 527.0584 ~ 527.0584
MzDiff: none
Genistein 4'-glucuronide-7-sulfate (BioDeep_00000169864)
Formula: C21H18O14S (526.0417)
0 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000051516 Unreliable 527.0584 527.0584 ~ 527.0584
MzDiff: none
Genistein 4'-glucuronide-7-sulfate (BioDeep_00000169864)
Formula: C21H18O14S (526.0417)
0 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 7 Sample Hits
Metabolite Species Sample
m/z_527.0583

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide

Formula: C23H23Cl2F3N4O3S (562.082)
Adducts: [M+H-2H2O]+ (Ppm: 19.1)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

(1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

Formula: C21H24N2O9S3 (544.0644)
Adducts: [M+H-H2O]+ (Ppm: 5.3)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Genistein 4'-glucuronide-7-sulfate

Formula: C21H18O14S (526.0417)
Adducts: [M+H]+ (Ppm: 19)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

Genistein 4'-glucuronide-7-sulfate

Formula: C21H18O14S (526.0417)
Adducts: [M+H]+ (Ppm: 17.8)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

Genistein 4'-glucuronide-7-sulfate

Formula: C21H18O14S (526.0417)
Adducts: [M+H]+ (Ppm: 18)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

m/z_527.0592

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