Trisjuglone

5,15,25-trihydroxyheptacyclo[20.8.0.0²,¹¹.0⁴,⁹.0¹²,²¹.0¹⁴,¹⁹.0²⁴,²⁹]triaconta-1(22),2(11),4(9),5,7,12(21),14(19),15,17,24(29),25,27-dodecaene-3,10,13,20,23,30-hexone

Formula: C30H12O9 (516.0481)
Chinese Name:
BioDeep ID: BioDeep_00000022720 ( View LC/MS Profile)
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C4C(=C5C(=C3C2=O)C(=O)C6=C(C5=O)C=CC=C6O)C(=O)C7=C(C4=O)C=CC=C7O

Found 10 Sample Hits

m/z	Adducts	Species	Organ	Scanning	Sample
481.0364	[M+H-2H2O]+ `PPM:4.4`	Plant	Root	MALDI (DHB)	MPIMM_035_QE_P_PO_6pm - MPIMM_035_QE_P_PO_6pm Resolution: 30μm, 165x170 Description
516.0679	[M-H2O+NH4]+ `PPM:6.8`	Homo sapiens	Liver	MALDI (DHB)	20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cells Resolution: 50μm, 70x70 Description
534.0788	[M+NH4]+ `PPM:5.9`	Homo sapiens	Liver	MALDI (DHB)	20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cells Resolution: 50μm, 70x70 Description
481.0368	[M+H-2H2O]+ `PPM:5.2`	Mus musculus	Lung	MALDI (DHB)	image4 - MTBLS2075 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.
481.0372	[M+H-2H2O]+ `PPM:6.1`	Mus musculus	Lung	MALDI (DHB)	image5 - MTBLS2075 Resolution: 40μm, 163x183 Description Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). Ion images of (a) m/z 796.6856 ([U13C-DPPC+Na]+), (b) m/z 756.5154 [PC32:0+Na]+ and (c) m/z 765.6079 ([D9-PC32:0+Na]+). (d) Overlay image of [U13C-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.
481.0353	[M+H-2H2O]+ `PPM:2.1`	Mytilus edulis	mantle	MALDI (DHB)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960 Resolution: 10μm, 270x210 Description
499.0425	[M+H-H2O]+ `PPM:4.7`	Mytilus edulis	gill	MALDI (DHB)	20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960 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
517.0573	[M+H]+ `PPM:3.7`	Homo sapiens	esophagus	DESI ()	LNTO22_1_7 - MTBLS385 Resolution: 75μm, 69x54 Description
516.0692	[M-H2O+NH4]+ `PPM:4.2`	Drosophila melanogaster	brain	MALDI (DHB)	Drosophila18 - 2019-10-16_14h26m34s 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
534.0805	[M+NH4]+ `PPM:2.7`	Drosophila melanogaster	brain	MALDI (DHB)	Drosophila18 - 2019-10-16_14h26m34s 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