M/Z: 530.2942

Hit 2 annotations: Glycochenodeoxycholate 7-sulfate_[M+H]+; Glycerol phenylbutyrate_[M-H2O+NH4]+

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 530.2942

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000043558 Unreliable	530.2892	530.2892 ~ 530.2892 MzDiff: `none`	Glycerol phenylbutyrate (BioDeep_00000179522) Formula: C33H38O6 (530.2668)	1.46 (100%)	Homo sapiens [UBERON:0001043] esophagus
MSI_000009992 Unreliable	530.2856	530.2856 ~ 530.2856 MzDiff: `0.0 ppm`	Haloperidol decanoate (BioDeep_00000179672) Formula: C31H41ClFNO3 (529.2759)	1.38 (67%)	Bathymodiolus [UBERON:0009120] gill filament
MSI_000065773 Unreliable	530.2884	530.2883 ~ 530.2885 MzDiff: `0.9 ppm`	Haloperidol decanoate (BioDeep_00000179672) Formula: C31H41ClFNO3 (529.2759)	1.16 (100%)	Homo sapiens [UBERON:0001155] colon
MSI_000011866 Unreliable	530.2856	530.2856 ~ 530.2856 MzDiff: `none`	Haloperidol decanoate (BioDeep_00000179672) Formula: C31H41ClFNO3 (529.2759)	0.31 (100%)	Bathymodiolus [UBERON:2000211] gill lamella

Found 2 Sample Hits

Metabolite	Species	Sample
Glycochenodeoxycholate 7-sulfate Formula: C26H43NO8S (529.2709) Adducts: [M+H]+ (Ppm: 12.3)	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
Glycerol phenylbutyrate Formula: C33H38O6 (530.2668) Adducts: [M-H2O+NH4]+ (Ppm: 7.8)	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).

Metabolite

Species

Sample

Glycochenodeoxycholate 7-sulfate

Formula: C26H43NO8S (529.2709)
Adducts: [M+H]+ (Ppm: 12.3)

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

Glycerol phenylbutyrate

Formula: C33H38O6 (530.2668)
Adducts: [M-H2O+NH4]+ (Ppm: 7.8)

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).