M/Z: 717.1371

Hit 1 annotations: Neotheaflavin 3-gallate_[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 14 Reference Ions Near m/z 717.1371

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000054068 Unreliable	717.1291	717.1291 ~ 717.1291 MzDiff: `0.3 ppm`	[(2s,3r,4s,5s,6s)-4,5-dihydroxy-2-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-7-oxo-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid (BioDeep_00002195795) Formula: C29H34O20S (734.1364)	3.49 (100%)	MALDI - CHCA [NOVOCELL:BACKGROUND] blank
MSI_000011154 Unreliable	717.1299	717.1299 ~ 717.1299 MzDiff: `none`	(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706) Formula: C31H44Br2O10 (734.1301)	1.89 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011170 Unreliable	717.1371	717.1371 ~ 717.1371 MzDiff: `none`	Neotheaflavin 3-gallate (BioDeep_00000871765) Formula: C36H28O16 (716.1377)	1.85 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011171 Unreliable	717.1442	717.1442 ~ 717.1442 MzDiff: `none`	scutianthraquinone B (BioDeep_00000320998) Formula: C38H30O13 (694.1686)	1.85 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000010035 Unreliable	717.128	717.1279 ~ 717.128 MzDiff: `0.0 ppm`	(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706) Formula: C31H44Br2O10 (734.1301)	0.67 (100%)	Bathymodiolus [UBERON:0009120] gill filament
MSI_000011811 Unreliable	717.128	717.128 ~ 717.128 MzDiff: `0.0 ppm`	(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706) Formula: C31H44Br2O10 (734.1301)	1.15 (100%)	Bathymodiolus [UBERON:2000211] gill lamella
MSI_000054595 Unreliable	717.1286	717.1286 ~ 717.1286 MzDiff: `none`	(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706) Formula: C31H44Br2O10 (734.1301)	1.94 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000009481 Unavailable	717.1299	717.1299 ~ 717.1299 MzDiff: `none`	(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione (BioDeep_00002196706) Formula: C31H44Br2O10 (734.1301)	-0.51 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009454 Unavailable	717.1371	717.1371 ~ 717.1371 MzDiff: `none`	Neotheaflavin 3-gallate (BioDeep_00000871765) Formula: C36H28O16 (716.1377)	-0.46 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009449 Unavailable	717.1442	717.1442 ~ 717.1442 MzDiff: `none`	scutianthraquinone B (BioDeep_00000320998) Formula: C38H30O13 (694.1686)	-0.45 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000004228 Unreliable	717.1276	717.1276 ~ 717.1276 MzDiff: `none`	Not Annotated	0.86 (%)	Homo sapiens [UBERON:0002107] liver
MSI_000033410 Unreliable	717.1278	717.1278 ~ 717.1278 MzDiff: `none`	(2s,3s,4s,5r,6s)-6-{[2-(4-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (BioDeep_00002077303) Formula: C30H30O19 (694.1381)	2.1 (100%)	Posidonia oceanica [PO:0005352] xylem
MSI_000037293 Unreliable	717.1279	717.1279 ~ 717.1279 MzDiff: `none`	Not Annotated	1.94 (%)	Posidonia oceanica [UBERON:0000329] hair root
MSI_000040219 Unavailable	717.1291	717.1291 ~ 717.1291 MzDiff: `none`	[(2s,3r,4s,5s,6s)-4,5-dihydroxy-2-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-7-oxo-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid (BioDeep_00002195795) Formula: C29H34O20S (734.1364)	-0.08 (100%)	Posidonia oceanica [PO:0005417] phloem

Found 1 Sample Hits

Metabolite	Species	Sample
Neotheaflavin 3-gallate Formula: C36H28O16 (716.1377) Adducts: [M+H]+ (Ppm: 11)	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.

Metabolite

Species

Sample

Neotheaflavin 3-gallate

Formula: C36H28O16 (716.1377)
Adducts: [M+H]+ (Ppm: 11)

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.