Spectrum CCMSLIB00000424794 for Yohimbine

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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
146-48-5
InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
C21H26N2O3
354.19434269199996
O=C(OC)C1C(O)CCC2CN3CCC=4C=5C=CC=CC5NC4C3CC12
BLGXFZZNTVWLAY-SCYLSFHTSA-N

Mass Spectral Metadata

NameValue
MS2
DI-ESI
Commercial
qTof
354.194
1
f.10mauriz/28_br_pos_30eV.mgf;
GNPS-LIBRARY
Lucas Marques, 10mauriz, Norberto Lopes
positive
2.0002816964603083
0.5113164451448287
355.201
[M+H]+
3.6956314873612888 ppm
-0.001312691999942217 Da