Spectrum VF-NPL-QEHF025393 for Cystine

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products 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
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
C6H12N2O4S2
240.023848864
O=C(O)C(N)CSSCC(N)C(=O)O
LEVWYRKDKASIDU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_UC_2052_p1_D08_4.raw
20
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.3365840153891093
0.3930056709539904
263.0130615234375
[M+Na]+
2.1190603968278676 ppm
-5.573405625227679E-4 Da