M/Z: 560.2669

Hit 3 annotations: (2S)-2-[[2-[(2S,3S)-2-[[(2R)-2-Amino-3-mercaptopropyl]amino]-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid propan-2-yl ester_[M+H]+; Sotorasib_[M-H2O+NH4]+; Isomorellic acid_[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 0 Reference Ions Near m/z 560.2669

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context

Found 3 Sample Hits

Metabolite	Species	Sample
(2S)-2-[[2-[(2S,3S)-2-[[(2R)-2-Amino-3-mercaptopropyl]amino]-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid propan-2-yl ester Formula: C26H45N3O6S2 (559.275) Adducts: [M+H]+ (Ppm: 14)	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
Sotorasib Formula: C30H30F2N6O3 (560.2347) Adducts: [M-H2O+NH4]+ (Ppm: 15.9)	Macropus giganteus (Brain)	170321_kangaroobrain-dan3-pos_maxof50.0_med1 Resolution: 50μm, 81x50 Description Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild
Isomorellic acid Formula: C33H36O8 (560.241) Adducts: [M-H2O+NH4]+ (Ppm: 0.7)	Homo sapiens (esophagus)	LNTO22_1_8 Resolution: 75μm, 69x61 Description

Metabolite

Species

Sample

(2S)-2-[[2-[(2S,3S)-2-[[(2R)-2-Amino-3-mercaptopropyl]amino]-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid propan-2-yl ester

Formula: C26H45N3O6S2 (559.275)
Adducts: [M+H]+ (Ppm: 14)

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

Sotorasib

Formula: C30H30F2N6O3 (560.2347)
Adducts: [M-H2O+NH4]+ (Ppm: 15.9)

Macropus giganteus (Brain)

170321_kangaroobrain-dan3-pos_maxof50.0_med1

Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

Isomorellic acid

Formula: C33H36O8 (560.241)
Adducts: [M-H2O+NH4]+ (Ppm: 0.7)

Homo sapiens (esophagus)

LNTO22_1_8

Resolution: 75μm, 69x61

Description