Spectrum VF-NPL-LTQ000105 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
347.063084418
O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O
UDMBCSSLTHHNCD-KQYNXXCUSA-N
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

Mass Spectral Metadata

NameValue
35
120_20_iTree_NEG_06262014_10.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.3236411577951839
0.4669154933786743
346.1341358531605
M-H
226.29214240141633 ppm
0.07832743516047458 Da