Spectrum PM000940 for L-Methionine sulfoxide

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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
165.05
InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
QEFRNWWLZKMPFJ-UHFFFAOYSA-N
C5H11NO3S
165.045964212
O=C(O)C(N)CCS(=O)C

Mass Spectral Metadata

NameValue
PM000940
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
18
ESI
positive
authentic sample
[M+H]+
MS2
1.116393641612897
0.8053077852174486
166
[M+H]+
324.904891566274 ppm
-0.05393421200000148 Da