Spectrum PM000938 for N-acetyl-L-cysteine

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
163.03
InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
PWKSKIMOESPYIA-BYPYZUCNSA-N
C5H9NO3S
163.030314148
O=C(O)C(N=C(O)C)CS

Mass Spectral Metadata

NameValue
ESI
PM000938
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
12
positive
authentic sample
[M+H]+
MS2
0.9664537171145979
0.8797040840370238
164
[M+H]+
233.4399268292833 ppm
-0.03828414800000246 Da