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 4 Reference Ions Near m/z 628.056
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000022250 Unreliable 628.0532 628.0532 ~ 628.0532
MzDiff: none
Not Annotated 0.33 (0%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000065857 Unreliable 628.0563 628.056 ~ 628.0565
MzDiff: 2.0 ppm
UDP-N-acetyl-alpha-D-glucosamine (BioDeep_00000229194)
Formula: C17H25N3O17P2 (605.0659)
1.67 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000023827 Unreliable 628.0532 628.0532 ~ 628.0532
MzDiff: none
Not Annotated 1.1 (0%) Mus musculus
[UBERON:0004263] upper arm skin
MSI_000024740 Unreliable 628.0462 628.0462 ~ 628.0462
MzDiff: none
UDP-N-acetyl-alpha-D-glucosamine (BioDeep_00000229194)
Formula: C17H25N3O17P2 (605.0659)
1.77 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue

Found 11 Sample Hits
Metabolite Species Sample
m/z_628.0532

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

UDP-N-acetyl-alpha-D-glucosamine

Formula: C17H25N3O17P2 (605.0659)
Adducts: [M+Na]+ (Ppm: 8.1)
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.

Guanosine diphosphate mannose

Formula: C16H25N5O16P2 (605.0772)
Adducts: [M+Na]+ (Ppm: 8.6)
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.

m/z_628.0545

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Guanosine diphosphate mannose

Formula: C16H25N5O16P2 (605.0772)
Adducts: [M+Na]+ (Ppm: 16.4)
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).

Guanosine diphosphate mannose

Formula: C16H25N5O16P2 (605.0772)
Adducts: [M+Na]+ (Ppm: 11.4)
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).

m/z_628.0564

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

UDP-N-acetyl-alpha-D-glucosamine

Formula: C17H25N3O17P2 (605.0659)
Adducts: [M+Na]+ (Ppm: 1.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

UDP-N-acetyl-alpha-D-glucosamine

Formula: C17H25N3O17P2 (605.0659)
Adducts: [M+Na]+ (Ppm: 2.2)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

UDP-N-acetyl-alpha-D-glucosamine

Formula: C17H25N3O17P2 (605.0659)
Adducts: [M+Na]+ (Ppm: 1.4)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

UDP-N-acetyl-alpha-D-glucosamine

Formula: C17H25N3O17P2 (605.0659)
Adducts: [M+Na]+ (Ppm: 2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description