Spectrum CCMSLIB00005463666 for Deacetylvindoline

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3
C23H30N2O5
414.21547206
O=C(OC)C1(O)C(O)C2(C=CCN3CCC4(C5=CC=C(OC)C=C5N(C)C14)C32)CC
ZDKMPOJNYNVYLA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
414.215
1
f.mbeniddir/catharanthus/standards/deacetylvindoline.mgf;
MS2
GNPS-LIBRARY
mbeniddir, Mehdi Beniddir
positive
2.9206323856124263
0.5612276388624339
415.22
[M+H]+
8.289725928417663 ppm
-0.003442059999997582 Da