Spectrum MoNA002063 for DTMP

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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
InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
GYOZYWVXFNDGLU-XLPZGREQSA-N
C10H15N2O8P
322.05660207
O=C1N=C(O)C(=CN1C2OC(COP(=O)(O)O)C(O)C2)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
40
C10H15N2O8P
322.05661
322.05661
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.3573494360095615
0.5660586812974194
323.063973563058
[M+H]+
1.8525957424731823 ppm
-5.9850694196939E-4 Da