Spectrum VF-NPL-QEHF000128 for 1-Methyladenosine

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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/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
C11H15N5O4
281.11240396
N=C1C=2N=CN(C2N=CN1C)C3OC(CO)C(O)C3O
GFYLSDSUCHVORB-IOSLPCCCSA-N

Mass Spectral Metadata

NameValue
35HCD
120_117_NEG_QEHF_244.raw
10
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
0.9294674164853768
0.19006156659071763
280.1051330566406
[M-H]-
0.018195455988374364 ppm
5.0966406206498505E-6 Da