Spectrum CCMSLIB00000578148 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
653-63-4
12599
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)
KHWCHTKSEGGWEX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
331.068
0
IROA_PLATE_ce_neg_1_G.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.7000265526347766
0.4950590818784544
330.06
[M-H]-
2.707986426688435 ppm
-8.937979999927848E-4 Da