Spectrum VF-NPL-QEHF000392 for Adenosine

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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/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
C10H13N5O4
267.096753896
OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O
OIRDTQYFTABQOQ-KQYNXXCUSA-N

Mass Spectral Metadata

NameValue
45HCD
120_46_POS_QEHF_174.raw
8
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.721100955872165
0.336679395008
268.10400390625
[M+H]+
2.685486749566185 ppm
-7.199897499958752E-4 Da