Spectrum FiehnHILIC001737 for Adenosine-3-monophosphate

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  • Originally submitted to the Fiehn Lab HILIC 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
LNQVTSROQXJCDD-KQYNXXCUSA-N
C10H14N5O7P
347.063084418
O=P(O)(O)OC1C(O)C(OC1CO)N2C=NC=3C(=NC=NC32)N
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(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

Mass Spectral Metadata

NameValue
MS2
M + 0
8.63255
1068
15 eV
positive
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.5620435341378367
0.19088306401138228
348.071
[M+H]+
0.1563416658975299 ppm
-5.441799999061914E-5 Da