Spectrum TY000050 for Oxymatrine

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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
Natural Product; Alkaloid
InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17+/m0/s1
XVPBINOPNYFXID-JARXUMMXSA-N
C15H24N2O2
264.183778008
O=C1N2CC3CCCN4(=O)CCCC(C2CCC1)C34

Mass Spectral Metadata

NameValue
TY000050
2016.01.19 (Created 2008.10.10, modified 2011.05.06)
Ken Tanaka
CC BY-SA
264.18378
Shimadzu LC20A-IT-TOFMS
LC-ESI-ITTOF
MS1
200 C
+4.50 kV
100-2000
Waters Atlantis T3 (2.1 x 150 mm, 5 um)
40 C
10 % B to 100 % B/40 min
0.2 ml/min
428.901
5 mM ammonium acetate
CH3CN
[M+H]+
positive
1.3482359068557581
0.7524647867141562