M/Z: 586.2199

Hit 2 annotations: Montelukast_[M+H]+; 9-Ethyl-4,6,9,10,11-pentahydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-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 1 Reference Ions Near m/z 586.2199

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000022206 Unreliable	586.228	586.228 ~ 586.228 MzDiff: `none`	Montelukast (BioDeep_00000002541) Formula: C35H36ClNO3S (585.2104)	0.36 (100%)	Mus musculus [UBERON:0001499] muscle of arm

Found 3 Sample Hits

Metabolite	Species	Sample
Montelukast Formula: C35H36ClNO3S (585.2104) Adducts: [M+H]+ (Ppm: 17.6)	Mus musculus (Left upper arm)	357_l_total ion count Resolution: 50μm, 97x131 Description Diseased
9-Ethyl-4,6,9,10,11-pentahydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione Formula: C30H35NO11 (585.221) Adducts: [M+H]+ (Ppm: 2.3)	Mus musculus (Lung)	image3 Resolution: 40μm, 146x190 Description Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). 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. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.
Montelukast Formula: C35H36ClNO3S (585.2104) Adducts: [M+H]+ (Ppm: 3.7)	Homo sapiens (colorectal adenocarcinoma)	439TopL, 409TopR, 429BottomL, 419BottomR-profile Resolution: 17μm, 157x136 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Metabolite

Species

Sample

Montelukast

Formula: C35H36ClNO3S (585.2104)
Adducts: [M+H]+ (Ppm: 17.6)

Mus musculus (Left upper arm)

357_l_total ion count

Resolution: 50μm, 97x131

Description

Diseased

9-Ethyl-4,6,9,10,11-pentahydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione

Formula: C30H35NO11 (585.221)
Adducts: [M+H]+ (Ppm: 2.3)

Mus musculus (Lung)

image3

Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). 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. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

Montelukast

Formula: C35H36ClNO3S (585.2104)
Adducts: [M+H]+ (Ppm: 3.7)

Homo sapiens (colorectal adenocarcinoma)

439TopL, 409TopR, 429BottomL, 419BottomR-profile

Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).