Spectrum CB000016 for Glycoperine

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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
Alkaloids
InChI=1S/C19H21NO8/c1-8-13(21)14(22)15(23)19(27-8)28-11-5-4-9-12(17(11)25-3)20-18-10(6-7-26-18)16(9)24-2/h4-8,13-15,19,21-23H,1-3H3/t8-,13-,14-,15-,19+/m1/s1
KJOKSAQCWDHTOL-JHHSONQDSA-N
C19H21NO8
391.12671663200007
OC1C(OC=2C=CC3=C(N=C4OC=CC4=C3OC)C2OC)OC(C)C(O)C1O

Mass Spectral Metadata

NameValue
2018.04.04
CB000016
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
391.3811
ABSciex API3200 LC/MS system
LC-ESI-QQQ
MS1
positive
4.236409779363816
0.9179413113708577
[M+H]+
392.13468663200007
0.0 ppm
0.0 Da