M/Z: 780.0036

Hit 1 annotations: C.I. Food Black 1_[M+H]+

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 6 Reference Ions Near m/z 780.0036

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000063890 Reliable	780.0022	780.0022 ~ 780.0022 MzDiff: `none`	C.I. Food Black 1 (BioDeep_00000034531) Formula: C28H21N5O14S4 (778.9968)	(100%)	Homo sapiens [UBERON:0001264] pancreas
MSI_000011311 Unreliable	779.9945	779.9945 ~ 779.9945 MzDiff: `none`	Not Annotated	1.15 (%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011400 Unreliable	780.0028	780.0028 ~ 780.0028 MzDiff: `none`	C.I. Food Black 1 (BioDeep_00000034531) Formula: C28H21N5O14S4 (778.9968)	0.55 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000015826 Unreliable	780.0036	780.0034 ~ 780.0038 MzDiff: `1.7 ppm`	Not Annotated	3.31 (%)	Vitis vinifera [PO:0009085] exocarp
MSI_000000226 Unreliable	779.9945	779.9945 ~ 779.9945 MzDiff: `none`	Not Annotated	1.42 (%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000199 Unreliable	780.0028	780.0028 ~ 780.0028 MzDiff: `none`	C.I. Food Black 1 (BioDeep_00000034531) Formula: C28H21N5O14S4 (778.9968)	1.6 (100%)	Mus musculus [CL:0000066] epithelial cell

Found 4 Sample Hits

Metabolite	Species	Sample
C.I. Food Black 1 Formula: C28H21N5O14S4 (778.9968) Adducts: [M+H]+ (Ppm: 1.6)	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.
m/z_780.0034 Formula: - (n/a) Adducts: (Ppm: )	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
m/z_780.0038 Formula: - (n/a) Adducts: (Ppm: )	Vitis vinifera (Fruit)	grape_dhb_163_1 Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late
C.I. Food Black 1 Formula: C28H21N5O14S4 (778.9968) Adducts: [M+H]+ (Ppm: 2.4)	Homo sapiens (Pancreas)	tma6 Resolution: 17μm, 368x255 Description Sample information Organism: Homo sapiens (human) Organism part: Pancreas Condition: N/A Sample preparation Sample stabilisation: Paraformaldehyde fixed Tissue modification: None MALDI matrix: CHCA MALDI matrix application: quantification Solvent: none MS analysis Polarity: Positive Ionisation source: MALDI Analyzer: timsTOF fleX Pixel size: 0.1μm × 0.1μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 43035 Imzml file size: 94.45 MB Ibd file size: 2.41 GB