Skip to main content

Table 2 “Validation list” used for validation

From: rMSIcleanup: an open-source tool for matrix-related peak annotation in mass spectrometry imaging and its application to silver-assisted laser desorption/ionization

Chemical formula Validation list Type Monoisotopic mass (n = 1) PubChem CID Refs
\([Ag]_{n}^{ + }\) Positive class Silver cluster 106.9051 104755 [27]
\(\left[ {AgF} \right]_{n}\) Negative class Neutral salt 125.903 62656 [28]
\(\left[ {AgCl} \right]_{n}\) 141.8734 24561
\(\left[ {AgBr} \right]_{n}\) 185.8229 66199
\(\left[ {AgI} \right]_{n}\) 233.809 24563
\(\left[ {AgH} \right]_{n}\) Synthetic compound 107.9124 139654
\(\left[ {AgH_{2} } \right]_{n}\) 108.9202 92028350
\(\left[ {AgHe} \right]_{n}\) 110.9072 71348557
\(\left[ {AgNO_{3} } \right]_{n}\) 168.8924 24470
\(\left[ {AgTh_{2} } \right]_{n}\) 570.9807 71351869
\(\left[ {AgF_{2} } \right]_{n}\) 144.9014 82221
\(\left[ {AgBF_{4} } \right]_{n}\) 192.9111 159722
\(\left[ {C_{27} H_{56} + Ag} \right]_{n}^{ + }\) Plants, wax, insects’ pheromones 487.3428 [29]
\(\left[ {C_{29} H_{60} + Ag} \right]_{n}^{ + }\) 515.3741
\(\left[ {C_{31} H_{64} + Ag} \right]_{n}^{ + }\) 543.4054
\(\left[ {C_{26} H_{54} O + Ag} \right]_{n}^{ + }\) Plant wax 489.322
\(\left[ {C_{28} H_{58} O + Ag} \right]_{n}^{ + }\) 517.3533
\(\left[ {C_{30} H_{62} O + Ag} \right]_{n}^{ + }\) 545.3846
\(\left[ {C_{26} H_{52} O_{2} + Ag} \right]_{n}^{ + }\) Wax 503.3013
\(\left[ {C_{30} H_{60} O_{2} + Ag} \right]_{n}^{ + }\) 559.3639
  1. The “positive class” consists of silver clusters. The “negative class” consists of neutral silver salts, synthetic silver compounds and silver adducts that are not expected to be found in animal samples. The index n denotes the number of atoms or molecules inside the cluster. The minimum and maximum value of n depend on the monoisotopic mass of the atom or molecule and the mass range of the dataset