Spectrum VF-NPL-LTQ000046 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
35
120_117_iTree_NEG_08162014_06.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
561.1177721525494
M-H
500808.66823115223 ppm
281.0126441925494 Da