M/Z: 632.3718

Hit 1 annotations: 23-(1,2-dihydroxy-3-methylpent-3-en-1-yl)-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione_[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 10 Reference Ions Near m/z 632.3718

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000011619 Unavailable	632.3634	632.3634 ~ 632.3634 MzDiff: `none`	Thuggacin A (BioDeep_00000241071) Formula: C35H53NO7S (631.3543)	-1.51 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011646 Unavailable	632.3795	632.3795 ~ 632.3795 MzDiff: `none`	(2s,3r,4s,5r)-2-[2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol (BioDeep_00002285212) Formula: C34H58Cl2O6 (632.361)	-1.84 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011663 Unavailable	632.3718	632.3718 ~ 632.3718 MzDiff: `none`	23-(1,2-dihydroxy-3-methylpent-3-en-1-yl)-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione (BioDeep_00002064054) Formula: C35H53NO9 (631.372)	-1.95 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000009080 Unreliable	632.3718	632.3718 ~ 632.3718 MzDiff: `none`	23-(1,2-dihydroxy-3-methylpent-3-en-1-yl)-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione (BioDeep_00002064054) Formula: C35H53NO9 (631.372)	3.1 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009109 Unreliable	632.3795	632.3795 ~ 632.3795 MzDiff: `none`	(2s,3r,4s,5r)-2-[2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol (BioDeep_00002285212) Formula: C34H58Cl2O6 (632.361)	3.07 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009217 Unreliable	632.3634	632.3634 ~ 632.3634 MzDiff: `none`	Thuggacin A (BioDeep_00000241071) Formula: C35H53NO7S (631.3543)	2.88 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000000719 Unavailable	632.3795	632.3795 ~ 632.3795 MzDiff: `none`	(2s,3r,4s,5r)-2-[2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol (BioDeep_00002285212) Formula: C34H58Cl2O6 (632.361)	-0.56 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000865 Unavailable	632.3718	632.3718 ~ 632.3718 MzDiff: `none`	23-(1,2-dihydroxy-3-methylpent-3-en-1-yl)-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione (BioDeep_00002064054) Formula: C35H53NO9 (631.372)	-0.66 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000903 Unavailable	632.3634	632.3634 ~ 632.3634 MzDiff: `none`	Thuggacin A (BioDeep_00000241071) Formula: C35H53NO7S (631.3543)	-0.77 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000057635 Unreliable	632.3764	632.3764 ~ 632.3764 MzDiff: `none`	Gluten exorphin C (BioDeep_00000053857) Formula: C29H57N5O12 (667.4004)	0.74 (100%)	Homo sapiens [UBERON:0007779] transudate

Found 2 Sample Hits

Metabolite	Species	Sample
23-(1,2-dihydroxy-3-methylpent-3-en-1-yl)-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione Formula: C35H53NO9 (631.372) Adducts: [M+H]+ (Ppm: 11.8)	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_632.3708 Formula: - (n/a) Adducts: (Ppm: 0)	Mus musculus (Lung)	image1 Resolution: 40μm, 187x165 Description Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

Metabolite

Species

Sample

23-(1,2-dihydroxy-3-methylpent-3-en-1-yl)-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione

Formula: C35H53NO9 (631.372)
Adducts: [M+H]+ (Ppm: 11.8)

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_632.3708

Formula: - (n/a)
Adducts: (Ppm: 0)

Mus musculus (Lung)

image1

Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5