M/Z: 558.9654

Hit 1 annotations: 8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol_[M+K]+

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 4 Reference Ions Near m/z 558.9654

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000015378 Reliable	558.9654	558.9653 ~ 558.9655 MzDiff: `0.8 ppm`	8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol (BioDeep_00002193379) Formula: C15H20Br3ClO3 (519.8651)	5.07 (100%)	Vitis vinifera [PO:0009085] exocarp
MSI_000018032 Unreliable	558.956	558.956 ~ 558.956 MzDiff: `none`	Not Annotated	0.66 (%)	Vitis vinifera [PO:0009087] mesocarp
MSI_000010930 Unreliable	558.9608	558.9608 ~ 558.9608 MzDiff: `none`	Not Annotated	2.87 (%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000000459 Unavailable	558.9608	558.9608 ~ 558.9608 MzDiff: `none`	Not Annotated	-0.19 (%)	Mus musculus [CL:0000066] epithelial cell

Found 4 Sample Hits

Metabolite	Species	Sample
m/z_558.9608 Formula: - (n/a) Adducts: (Ppm: )	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.
8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol Formula: C15H20Br3ClO3 (519.8651) Adducts: [M+K]+ (Ppm: 4.6)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol Formula: C15H20Br3ClO3 (519.8651) Adducts: [M+K]+ (Ppm: 4.4)	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
8,11-dibromo-5-(3-bromopropa-1,2-dien-1-yl)-2-chloro-3-methyl-4,13-dioxabicyclo[8.2.1]tridecan-7-ol Formula: C15H20Br3ClO3 (519.8651) Adducts: [M+K]+ (Ppm: 4.7)	Vitis vinifera (Fruit)	grape_dhb_163_1 Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late