Spectrum CCMSLIB00005464611 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
103301-73-1
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
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
MVMSCBBUIHUTGJ-GDJBGNAASA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
605.077
-1
MSV000084496/peak/mzXML/GNPS00007_F12_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
2.4272441263698
0.6773353700805419
604.07
[M-H]-
0.20365189491295357 ppm
1.2302000016006787E-4 Da