Spectrum VF-NPL-LTQ000104 for Adenosine Monophosphate

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
C10H14N5O7P
347.06308441799996
O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O
UDMBCSSLTHHNCD-KQYNXXCUSA-N

Mass Spectral Metadata

NameValue
35
120_20_iTree_POS_06262014_12.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.5627570624915441
0.8118868232817912
348.1111431511081
M-H
5904.24861009385 ppm
2.0553347331081113 Da