Spectrum CCMSLIB00000424795 for Emetine

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
483-18-1
InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24-,25-/m0/s1
C29H40N2O4
480.29880776
O(C=1C=C2C(=CC1OC)C(NCC2)CC3CC4C5=CC(OC)=C(OC)C=C5CCN4CC3CC)C
AUVVAXYIELKVAI-YMLRZMTOSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
480.299
1
f.10mauriz/29_br_pos_35.mgf;
MS2
GNPS-LIBRARY
Lucas Marques, 10mauriz, Norberto Lopes
positive
2.9572485945010247
0.7814747358310906
481.305
[M+H]+
3.693624624680304 ppm
-0.001777759999981754 Da