Spectrum VF-NPL-QEHF000468 for Glutathione

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  • 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/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
C10H17N3O6S
307.08380626400003
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CS
RWSXRVCMGQZWBV-WDSKDSINSA-N

Mass Spectral Metadata

NameValue
65HCD
120_60_POS_QEHF_224.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.3956409353848755
0.46539941833369247
308.0910949707031
[M+H]+
2.2113371922408223 ppm
-6.812932969069152E-4 Da