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Release/1.0

Merged Clement Frainay requested to merge release/1.0 into main
1 unresolved thread
Files
6
+ 0
75
Name,Formula difference,mass,RT shift (RP),RT shift (HILIC)
C,C,12,,
Adenosine ,C10H11N5O3,249.0861892,,
Guanosine,C10H11N5O4,265.0811039,,
Adenylate,C10H12N5O6P,329.0525197,,
AMP,C10H12N5O6P,329.0525197,,
GMP,C10H12N5O7P,345.0474343,,
TMP,C10H13N2O7P,304.0460373,,
GDP,C10H13N5O10P2,425.0137647,,
ADP,C10H13N5O9P2,409.0188501,,
dTDP,C10H14N2O10P2,384.0123677,,
Biotinyl ,C10H14N2O2S,226.0775984,,
Glutathione ,C10H15N3O5S,289.0732413,,
Sialic acid (+C11H17NO8),C11H17NO8,291.0954165,,
Disaccharide (+C12H20O11),C12H20O11,340.100561,,
ADP-ribosylation,C15H21N5O13P2,541.0611088,,
Palmitoylation ,C16H30O,238.2296656,,
Trisaccharide (+C18H30O15),C18H30O15,486.15847,,
C2,C2,24,,
Coenzyme A (+C21H35N7O16P3S - H2O),C21H33N7O15P3S,748.0968186,,
Coenzyme A (+C21H35N7O16P3S - H),C21H34N7O16P3S,765.0995583,,
C2H2,C2H2,26.01565006,,
Acetylation (+C2H2O),C2H2O,42.01056469,,
C2H2O2,C2H2O2,58.0054793,,
Glycine,C2H3NO,57.021464,,
Ethylation (+C2H4),C2H4,28.03130013,,
C2H4O,C2H4O,44.02621475,,
C2H4O2,C2H4O2,60.02112937,,
C2O,C2O,39.99491462,,
Malonyl group (+C3H2O3),C3H2O3,86.00039393,+,
C3H6,C3H6,42.04695019,,
C3H6O,C3H6O,58.04186481,,
Uracil,C4H3N2O2,111.0194524,,
Cytosine,C4H4N3O,110.035437,,
C4H8,C4H8,56.06260026,,
C4H8O,C4H8O,72.05751488,,
C5H2,C5H2,62.01565006,,
Adenine ,C5H4N5,134.0466702,,
Guanine ,C5H4N5O,150.0415848,,
Isoprenylation (+C5H8),C5H8,68.06260026,,
Hexose (C6H10O5),C6H10O5,162.0528234,,
Arginine,C6H12N4O,156.101111,,
C6H4,C6H4,76.03130013,,
Uronate (C6H8O6),C6H8O6,176.032088,,
Uridine ,C9H10N2O5,226.0589714,,
UMP,C9H11N2O8P,306.0253019,,
UDP,C9H12N2O11P2,385.9916323,,
CMP,C9H12N3O7P,305.0412863,,
CDP,C9H13N3O10P2,385.0076167,,
Methylation (+CH2),CH2,14.01565006,,
CH2N3O,CH2N3O,72.01978668,,
Deamination (+CH2O),CH2O,30.01056468,,
CH2O2,CH2O2,46.0054793,,
Urea addition (+CH3N2O),CH3N2O,59.02453773,,
CH4,CH4,16.03130013,,
CH4N3,CH4N3,58.04052213,,
CH4S,CH4S,48.003372,,
Formylation (+CO),CO,27.99491462,,
Carboxylation (+CO2),CO2,43.98982924,,
Hydrogenation (+H2),H2,2.015650064,,
H2N3O,H2N3O,60.01978668,,
Condensation (+H2O),H2O,18.01056469,,
Sulfurization (+H2S),H2S,33.98772079,,
Diphosphate,H3O6P2,160.9404858,,
Phosphorylation (+HPO3),HPO3,79.96633041,,
N3,N3,42.009222,,
Amination (+NH),NH,15.01089904,,
Amination (+NH2),NH2,16.01872407,,
Amination (+NH3),NH3,17.02654911,,
Transamination (+NH3-O),NH3-O,1.031634486,,
Hydroxylation (+O),O,15.99491462,-,
O2,O2,31.98982924,,
Deamination (+O-NH),O-NH,0.984015578,,
Thiolation (+S),S,31.97207073,,
Sulfurylation (+SO3),SO3,79.95681456,,
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