Spectrum CCMSLIB00000578263 for INOSINE 5'-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
352195-40-5
8582
C10H13N4O8P
348.047100006
O=C1N=CNC2=C1N=CN2C3OC(COP(=O)(O)O)C(O)C3O
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)
GRSZFWQUAKGDAV-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
348.047
0
IROA_PLATE_neg_4_A.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.6183676369269098
0.43579809624192
347.039
[M-H]-
2.37439019826647 ppm
-8.240060000161975E-4 Da