M/Z: 562.3043

Hit 2 annotations: Dapitant_[M+H]+; Ergocornine_[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 9 Reference Ions Near m/z 562.3043

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000007533 Reliable	562.3097	562.3094 ~ 562.3099 MzDiff: `1.7 ppm`	Ergocornine (BioDeep_00000178778) Formula: C31H39N5O5 (561.2951)	4.01 (100%)	Rattus norvegicus [UBERON:0004359] corpus epididymis
MSI_000011701 Unavailable	562.3043	562.3043 ~ 562.3043 MzDiff: `none`	Dapitant (BioDeep_00000177956) Formula: C37H39NO4 (561.2879)	-2.12 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000008317 Unreliable	562.3103	562.31 ~ 562.3107 MzDiff: `3.0 ppm`	Ergocornine (BioDeep_00000178778) Formula: C31H39N5O5 (561.2951)	4.79 (100%)	Rattus norvegicus [UBERON:0004360] cauda epididymis
MSI_000009077 Unreliable	562.312	562.312 ~ 562.312 MzDiff: `none`	Ergocornin (BioDeep_00000002617) Formula: C31H39N5O5 (561.2951)	3.1 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009221 Unreliable	562.3043	562.3043 ~ 562.3043 MzDiff: `none`	Dapitant (BioDeep_00000177956) Formula: C37H39NO4 (561.2879)	2.86 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000000443 Unavailable	562.312	562.312 ~ 562.312 MzDiff: `none`	Ergocornin (BioDeep_00000002617) Formula: C31H39N5O5 (561.2951)	-0.11 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000475 Unavailable	562.3043	562.3043 ~ 562.3043 MzDiff: `none`	Dapitant (BioDeep_00000177956) Formula: C37H39NO4 (561.2879)	-0.25 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000049540 Unreliable	562.3095	562.3095 ~ 562.3095 MzDiff: `none`	Ergocornin (BioDeep_00000002617) Formula: C31H39N5O5 (561.2951)	2.01 (100%)	Mytilus edulis [UBERON:0009120] gill filament
MSI_000051002 Unreliable	562.3095	562.3095 ~ 562.3095 MzDiff: `none`	Ergocornin (BioDeep_00000002617) Formula: C31H39N5O5 (561.2951)	0.34 (100%)	Mytilus edulis [UBERON:2001856] gill ray

Found 3 Sample Hits

Metabolite	Species	Sample
Dapitant Formula: C37H39NO4 (561.2879) Adducts: [M+H]+ (Ppm: 16.2)	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.
Ergocornine Formula: C31H39N5O5 (561.2951) Adducts: [M+H]+ (Ppm: 13.2)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito08_48 Resolution: 17μm, 294x107 Description
Ergocornine Formula: C31H39N5O5 (561.2951) Adducts: [M+H]+ (Ppm: 13.1)	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

Dapitant

Formula: C37H39NO4 (561.2879)
Adducts: [M+H]+ (Ppm: 16.2)

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.

Ergocornine

Formula: C31H39N5O5 (561.2951)
Adducts: [M+H]+ (Ppm: 13.2)

Rattus norvegicus (Epididymis)

epik_dhb_head_ito08_48

Resolution: 17μm, 294x107

Description

Ergocornine

Formula: C31H39N5O5 (561.2951)
Adducts: [M+H]+ (Ppm: 13.1)

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