M/Z: 718.1393

Hit 1 annotations: (2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid_[M-H2O+NH4]+

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 718.1393

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000011225 Unreliable	718.1393	718.1393 ~ 718.1393 MzDiff: `none`	(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid (BioDeep_00002177701) Formula: C33H35BrO13 (718.1261)	1.74 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011232 Unreliable	718.1321	718.1321 ~ 718.1321 MzDiff: `none`	Not Annotated	1.72 (0%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011238 Unreliable	718.1466	718.1466 ~ 718.1466 MzDiff: `none`	Not Annotated	1.7 (0%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000054162 Unreliable	718.1316	718.1316 ~ 718.1317 MzDiff: `0.5 ppm`	(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid (BioDeep_00002177701) Formula: C33H35BrO13 (718.1261)	3.3 (25%)	MALDI - CHCA [NOVOCELL:BACKGROUND] blank
MSI_000009418 Unavailable	718.1466	718.1466 ~ 718.1466 MzDiff: `none`	Not Annotated	-0.38 (0%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009423 Unavailable	718.1321	718.1321 ~ 718.1321 MzDiff: `none`	Not Annotated	-0.39 (0%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009429 Unavailable	718.1393	718.1393 ~ 718.1393 MzDiff: `none`	(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid (BioDeep_00002177701) Formula: C33H35BrO13 (718.1261)	-0.4 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000054706 Unreliable	718.1312	718.1312 ~ 718.1312 MzDiff: `none`	(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid (BioDeep_00002177701) Formula: C33H35BrO13 (718.1261)	1.81 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000000919 Unavailable	718.1393	718.1393 ~ 718.1393 MzDiff: `none`	(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid (BioDeep_00002177701) Formula: C33H35BrO13 (718.1261)	-0.81 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000921 Unavailable	718.1466	718.1466 ~ 718.1466 MzDiff: `none`	Not Annotated	-0.82 (0%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000922 Unavailable	718.1321	718.1321 ~ 718.1321 MzDiff: `none`	Not Annotated	-0.82 (0%)	Mus musculus [CL:0000066] epithelial cell
MSI_000004213 Unreliable	718.1301	718.1301 ~ 718.1301 MzDiff: `none`	Not Annotated	0.88 (0%)	Homo sapiens [UBERON:0002107] liver
MSI_000033432 Unreliable	718.1304	718.1304 ~ 718.1304 MzDiff: `none`	(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid (BioDeep_00002177701) Formula: C33H35BrO13 (718.1261)	2.07 (100%)	Posidonia oceanica [PO:0005352] xylem
MSI_000040336 Unavailable	718.1316	718.1316 ~ 718.1316 MzDiff: `none`	Not Annotated	-0.16 (0%)	Posidonia oceanica [PO:0005417] phloem

Found 1 Sample Hits

Metabolite	Species	Sample
(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid Formula: C33H35BrO13 (718.1261) Adducts: [M-H2O+NH4]+ (Ppm: 14)	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

(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid

Formula: C33H35BrO13 (718.1261)
Adducts: [M-H2O+NH4]+ (Ppm: 14)

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.