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Todo: add a parser for MSP files generated by MoNa or Riken, Golm Todo: add additional Tags in metaMS identification outputs
example Riken MSP NAME: CITRIC ACID-TETRA-TMS; EI-B; MS EXACTMASS: 480.1851098 FORMULA: C18H40O7Si4 SMILES: CSi(C)OC(=O)CC(CC(=O)OSi(C)C)(OSi(C)C)C(=O)OSi(C)C ONTOLOGY: Tricarboxylic acids and derivatives INCHIKEY: VFGAVMGYDWDESE-UHFFFAOYSA-N RETENTIONTIME: -1 RETENTIONINDEX: 1788.907 QUANTMASS: 75 IONMODE: Positive COLLISIONENERGY: 70eV LICENSE: CC BY-SA Comment: Num Peaks: 141
The text was updated successfully, but these errors were encountered:
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Todo: add a parser for MSP files generated by MoNa or Riken, Golm
Todo: add additional Tags in metaMS identification outputs
example Riken MSP
NAME: CITRIC ACID-TETRA-TMS; EI-B; MS
EXACTMASS: 480.1851098
FORMULA: C18H40O7Si4
SMILES: CSi(C)OC(=O)CC(CC(=O)OSi(C)C)(OSi(C)C)C(=O)OSi(C)C
ONTOLOGY: Tricarboxylic acids and derivatives
INCHIKEY: VFGAVMGYDWDESE-UHFFFAOYSA-N
RETENTIONTIME: -1
RETENTIONINDEX: 1788.907
QUANTMASS: 75
IONMODE: Positive
COLLISIONENERGY: 70eV
LICENSE: CC BY-SA
Comment:
Num Peaks: 141
The text was updated successfully, but these errors were encountered: