M/Z: 655.1037

Hit 2 annotations: 6-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid_[M+H]+; Ceftobiprole medocaril_[M+H-2H2O]+

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 2 Reference Ions Near m/z 655.1037

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000004470 Unreliable	655.1035	655.1035 ~ 655.1035 MzDiff: `none`	6-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (BioDeep_00000022393) Formula: C27H26O19 (654.1068)	0.55 (100%)	Homo sapiens [UBERON:0002107] liver
MSI_000065910 Unreliable	655.1084	655.1084 ~ 655.1084 MzDiff: `none`	Not Annotated	1.14 (0%)	Homo sapiens [UBERON:0007779] transudate

Found 3 Sample Hits

Metabolite	Species	Sample
6-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid Formula: C27H26O19 (654.1068) Adducts: [M+H]+ (Ppm: 16.2)	Homo sapiens (Liver)	20171107_FIT4_DHBpos_p70_s50 Resolution: 50μm, 70x70 Description
m/z_655.1008 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).
Ceftobiprole medocaril Formula: C26H26N8O11S2 (690.1162) Adducts: [M+H-2H2O]+ (Ppm: 2)	Drosophila melanogaster (brain)	Drosophila18 Resolution: 5μm, 686x685 Description Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB

Metabolite

Species

Sample

6-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C27H26O19 (654.1068)
Adducts: [M+H]+ (Ppm: 16.2)

Homo sapiens (Liver)

20171107_FIT4_DHBpos_p70_s50

Resolution: 50μm, 70x70

Description

m/z_655.1008

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).

Ceftobiprole medocaril

Formula: C26H26N8O11S2 (690.1162)
Adducts: [M+H-2H2O]+ (Ppm: 2)

Drosophila melanogaster (brain)

Drosophila18

Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB