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Tolerance: ± ppm dalton
Isotopic composition: Average weight Natural composition (12C 14N) 13C labeled 15N labeled 13C and 15N labeled
Ionization: -COO -H2O -NH2 -4H -3H -2H -1H Neutral +1H +2H +3H +4H +Na +K
Chemical identifier: InChi SMILES
Since it is the most unique, basing a search on the InChi string is most reliable.
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Range (±): 1H ppm 13C ppm
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