Spectrum VF-NPL-LTQ006534 for YOHIMBIC ACID HYDRATE

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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/C20H24N2O3.H2O/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25;/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25);1H2/t11-,14-,16-,17-,18+;/m0./s1
C20H26N2O4
358.189257312
O=C(O)C1C(O)CCC2CN3CCC=4C=5C=CC=CC5NC4C3CC12.O
UXXCUDYYOMDFPX-GPRFVYSASA-N

Mass Spectral Metadata

NameValue
35
NP_C2_143_p8_A11_POS_iTree_02.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.502358900667519
0.8384824673563921
341.2331481933594
M-H
46738.81539082838 ppm
-15.948833118640607 Da