Spectrum CCMSLIB00005720523 for LIPOAMIDE

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
940-69-2
863
InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)
C8H15NOS2
205.0595061
N=C(O)CCCCC1SSCC1
FCCDDURTIIUXBY-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
205.06
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
3.6897381656304016
0.8714325352052906
206.067
[M+H]+
2.310413603274617 ppm
-4.760999999859905E-4 Da