Computational Annotation of MS Peaks (CAMP)
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Atom-Mass pairs
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Queried mass:
111.639328
Fragment:
Formula:
C5O3
Mass offset:
0.444
Num. used hydrogen atoms:
4
Num. of extra required hydrogen atoms:
2
Atom indices:
C7,C10,C14,C15,C16,O17,O19,O21
Heavy atoms of the fragment are shown in cyan.