Spectrum CCMSLIB00005464569 for INOSINE MONOPHOSPHATE

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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
131-99-7
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
C10H13N4O8P
348.04710000599994
O=P(O)(O)OCC1OC(N2C=NC=3C(O)=NC=NC32)C(O)C1O
GRSZFWQUAKGDAV-KQYNXXCUSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
348.047
1
MSV000084496/peak/mzXML/GNPS00007_B7_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
2.330829828279742
0.7072042467640389
371.036
[M+Na]+
2.3448021215108565 ppm
-8.700059999569021E-4 Da