Table 3 Assignment of ions distributed throughout the cerebellar cortex.

From: Unsupervised machine learning using an imaging mass spectrometry dataset automatically reassembles grey and white matter

m/z

(observed)

Estimated

molecule

Theoretical

mass

Adduct

m/z

(adduct)

delta

ppm

834.614

PS(39:0)

833.6146

[M + H]+

834.6224

−10.06

835.617

PS(39:0)

isotopic

834.6179

[M + H]+

835.6258

−10.53

856.597

PI(34:0)

838.5571

[M + NH4]+

856.5915

6.42

857.600

PI(34:0)

isotopic

839.5605

[M + NH4]+

857.5949

5.95

872.573

PS(39:0)

833.6146

[M+K]+

872.5783

−6.07

873.577

PS(39:0)

isotopic

834.6179

[M+K]+

873.5816

−5.27

874.576

PS(39:0)

isotopic

835.6213

[M+K]+

874.5850

−10.29