Spectrum CCMSLIB00004679320 for Phencyclidine

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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
C17H25N
243.19869979999999
C=1C=CC(=CC1)C2(N3CCCCC3)CCCCC2
InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
JTJMJGYZQZDUJJ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
243.199
1
f.Francesca90/drug_RIS 2/180523_MIX60_INCLUSION (1).mzXML;
MS2
GNPS-LIBRARY
Manuel Sergi, 23.05.2018, Francesca90
positive
1.411329963701173
0.4384543053191438
244.206
[M+H]+
2.7427663529854596 ppm
-6.697999999971671E-4 Da