Spectrum FiehnHILIC002858 for N-Formylmethionine

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  • Originally submitted to the Fiehn Lab HILIC Library

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
PYUSHNKNPOHWEZ-YFKPBYRVSA-N
C6H11NO3S
177.045964212
O=C(O)C(N=CO)CCSC
InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
469
15 eV
negative
4.024683
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.5571099751134382
0.31092899726851075
176.0388
[M-H]-
0.6350190980517599 ppm
1.1178799999811417E-4 Da