M/Z: 540.061

Hit 3 annotations: Alamifovir_[M+H-2H2O]+; I-Abopx_[M+H-2H2O]+; L-Alanine, N-(2,6-dichloro-4-(((3-(2-furanyl)-1-oxo-2-propenyl)amino)methyl)benzoyl)-3-(((4R)-4-thiazolidinylcarbonyl)amino)-_[M]+

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 11 Reference Ions Near m/z 540.061

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000053616 Reliable	540.0663	540.0661 ~ 540.067 MzDiff: `3.8 ppm`	4,12-dihydroxy-10-{[4'-(sulfooxy)-[1,1'-biphenyl]-3,3'-diyl]oxy}-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylic acid (BioDeep_00002280238) Formula: C25H16O12S (540.0362)	7.18 (89%)	MALDI - CHCA [NOVOCELL:BACKGROUND] blank
MSI_000010498 Unavailable	540.0664	540.0664 ~ 540.0664 MzDiff: `0.2 ppm`	Alamifovir (BioDeep_00000175819) Formula: C19H20F6N5O5PS (575.0827)	-1.59 (100%)	Bathymodiolus [UBERON:0009120] gill filament
MSI_000054854 Unreliable	540.0667	540.0662 ~ 540.067 MzDiff: `3.1 ppm`	Alamifovir (BioDeep_00000175819) Formula: C19H20F6N5O5PS (575.0827)	1.69 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000012249 Unavailable	540.0664	540.0664 ~ 540.0664 MzDiff: `0.0 ppm`	Alamifovir (BioDeep_00000175819) Formula: C19H20F6N5O5PS (575.0827)	-1.06 (100%)	Bathymodiolus [UBERON:2000211] gill lamella
MSI_000012845 Unavailable	540.068	540.068 ~ 540.068 MzDiff: `none`	Alamifovir (BioDeep_00000175819) Formula: C19H20F6N5O5PS (575.0827)	-0.49 (100%)	Plant [PO:0005020] vascular bundle
MSI_000014084 Unavailable	540.068	540.068 ~ 540.068 MzDiff: `none`	Alamifovir (BioDeep_00000175819) Formula: C19H20F6N5O5PS (575.0827)	-0.3 (100%)	Plant [PO:0005417] phloem
MSI_000014935 Unavailable	540.068	540.068 ~ 540.068 MzDiff: `none`	Alamifovir (BioDeep_00000175819) Formula: C19H20F6N5O5PS (575.0827)	-0.49 (100%)	Plant [PO:0006036] root epidermis
MSI_000018343 Unreliable	540.068	540.068 ~ 540.068 MzDiff: `none`	Alamifovir (BioDeep_00000175819) Formula: C19H20F6N5O5PS (575.0827)	1.78 (100%)	Plant [PO:0020124] root stele
MSI_000019940 Unavailable	540.068	540.068 ~ 540.068 MzDiff: `none`	Alamifovir (BioDeep_00000175819) Formula: C19H20F6N5O5PS (575.0827)	-0.5 (100%)	Plant [PO:0025197] stele
MSI_000051464 Unreliable	540.0662	540.0662 ~ 540.0662 MzDiff: `none`	Alamifovir (BioDeep_00000175819) Formula: C19H20F6N5O5PS (575.0827)	0 (100%)	Mytilus edulis [UBERON:2001856] gill ray
MSI_000065860 Unreliable	540.054	540.054 ~ 540.054 MzDiff: `none`	I-Abopx (BioDeep_00000179890) Formula: C23H22IN5O5 (575.0666)	1.62 (100%)	Homo sapiens [UBERON:0007779] transudate

Found 8 Sample Hits

Metabolite	Species	Sample
Alamifovir Formula: C19H20F6N5O5PS (575.0827) Adducts: [M+H-2H2O]+ (Ppm: 10.3)	Mus musculus (Lung)	image4 Resolution: 40μm, 162x156 Description Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.
Alamifovir Formula: C19H20F6N5O5PS (575.0827) Adducts: [M+H-2H2O]+ (Ppm: 17.5)	Homo sapiens (colorectal adenocarcinoma)	80TopL, 50TopR, 70BottomL, 60BottomR-profile Resolution: 17μm, 137x136 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).
m/z_540.0652 Formula: - (n/a) Adducts: (Ppm: 0)	Homo sapiens (colorectal adenocarcinoma)	80TopL, 50TopR, 70BottomL, 60BottomR-profile Resolution: 17μm, 137x136 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).
I-Abopx Formula: C23H22IN5O5 (575.0666) Adducts: [M+H-2H2O]+ (Ppm: 16.5)	Mytilus edulis (mantle)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 Resolution: 10μm, 270x210 Description
I-Abopx Formula: C23H22IN5O5 (575.0666) Adducts: [M+H-2H2O]+ (Ppm: 15.4)	Mytilus edulis (gill)	20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 Resolution: 11μm, 305x210 Description single cell layer `class_4` is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell
I-Abopx Formula: C23H22IN5O5 (575.0666) Adducts: [M+H-2H2O]+ (Ppm: 15.5)	Mytilus edulis (mantle)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 Resolution: 10μm, 275x210 Description
Alamifovir Formula: C19H20F6N5O5PS (575.0827) Adducts: [M+H-2H2O]+ (Ppm: 16.7)	Homo sapiens (colorectal adenocarcinoma)	520TopL, 490TopR, 510BottomL, 500BottomR-profile Resolution: 17μm, 147x131 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).
L-Alanine, N-(2,6-dichloro-4-(((3-(2-furanyl)-1-oxo-2-propenyl)amino)methyl)benzoyl)-3-(((4R)-4-thiazolidinylcarbonyl)amino)- Formula: C22H22Cl2N4O6S (540.0637) Adducts: [M]+ (Ppm: 2.3)	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).