Spectrum MoNA002089 for L-METHIONINE SULFOXIMINE

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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
InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1
SXTAYKAGBXMACB-DPVSGNNYSA-N
C5H12N2O3S
180.056863244
O=C(O)C(N)CCS(=O)(=N)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
20
C5H12N2O3S
180.05687
180.05687
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.7650101322145448
0.5047923109522111
181.063583374023
[M+H]+
6.902934061599688 ppm
-0.0012498699769878385 Da