Spectrum WA002686 for Ajmaline

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/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16+,17-,18+,19+,20+/m0/s1
CJDRUOGAGYHKKD-OVXZWHIBSA-N
C20H26N2O2
326.199428072
OC1N2C3CC(C1CC)C4C(O)C5(C=6C=CC=CC6N(C)C35)CC24

Mass Spectral Metadata

NameValue
WA002686
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
326.19943
ZQ, Waters
LC-ESI-Q
MS1
ESI
12.120 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
90 V
ignore rel.int. < 5
positive
4.009505572648638
0.8597744050546156