Spectrum CCMSLIB00004679311 for Amphetamine

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
C9H13N
135.104799416
NC(C)CC=1C=CC=CC1
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
KWTSXDURSIMDCE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
136.112
1
f.Francesca90/drug_RIS 2/180523_MIX60_INCLUSION (1).mzXML;
MS2
GNPS-LIBRARY
Manuel Sergi, 23.05.2018, Francesca90
positive
1.7881543139771985
0.5207224743416872
136.112
[M+H]+
5.652815328531917 ppm
-7.694159999971362E-4 Da