Spectrum MoNA016689 for DAMP

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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
KHWCHTKSEGGWEX-RRKCRQDMSA-N
C10H14N5O6P
331.068169798
O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)CC1O
InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

Mass Spectral Metadata

NameValue
C10H14N5O6P
-1
0.90205
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
1.8484340572794056
0.7438645863968791
332.0699
[M+H]+
18.79061607199967 ppm
-0.0062397979999673225 Da