Spectrum CCMSLIB00005464470 for GLUCOSAMINE 6-PHOSPHATE

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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
70442-23-8
InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
C6H14NO8P
259.045703038
O=P(O)(O)OCC1OC(O)C(N)C(O)C1O
XHMJOUIAFHJHBW-UKFBFLRUSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
259.046
1
MSV000084495/peak/mzXML/GNPS00006_F9_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
2.775320522916388
0.7870212088477474
282.035
[M+Na]+
1.6772315492599863 ppm
-4.730379999955403E-4 Da