Spectrum MoNA001962 for N-ACETYL-DL-METHIONINE

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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/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
XUYPXLNMDZIRQH-LURJTMIESA-N
C7H13NO3S
191.06161427599997
O=C(O)C(N=C(O)C)CCSC

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
10
C7H13NO3S
191.06162
191.06162
positive
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
2.19583411344466
0.6662447817408981
192.069396972656
[M+H]+
0.975185776235551 ppm
-1.8730334397787374E-4 Da