Spectrum NGA01449 for Perforine

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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/C18H25NO5/c1-17(2,21)8-9-18(23-4)13(20)6-5-11-14(22-3)12-7-10-24-16(12)19-15(11)18/h7,10,13,20-21H,5-6,8-9H2,1-4H3
KHGNFPUMBJSZSM-UHFFFAOYSA-N
C18H25NO5
335.17327290000003
OC1CCC=2C(OC)=C3C=COC3=NC2C1(OC)CCC(O)(C)C

Mass Spectral Metadata

NameValue
NGA01449
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
335.4037
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
3.1298982454685276
0.8484685619038004
[M+H]+
336.18124290000003
0.0 ppm
0.0 Da