Spectrum MoNA024042 for GUANOSINE DIPHOSPHATE MANNOSE

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1
MVMSCBBUIHUTGJ-GDJBGNAASA-N
C16H25N5O16P2
605.0771529799999
O=P(O)(OCC1OC(N2C=NC=3C(O)=NC(=N)NC32)C(O)C1O)OP(=O)(O)OC4OC(CO)C(O)C(O)C4O

Mass Spectral Metadata

NameValue
<?xml version="1.0" encoding="utf-8"?>
//www.chemspider.com/" />
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C16H25N5O16P2
605.0
605.07715
IROA_DB_for_mona_filtered_exported_addedInfo.msp
positive
0.362825507374967
0.07985955672321256
606.08445
[M+H]+
1.110373315121804 ppm
-6.729799999902752E-4 Da